CID 16076541

N'-[(1s)-1-cyclohexylethyl]-n-[(1r,2r,3r,5s)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C20H38N2
SMILES
C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCCN[C@@H](C)C3CCCCC3
InChI
InChI=1S/C20H38N2/c1-14-18-12-17(20(18,3)4)13-19(14)22-11-10-21-15(2)16-8-6-5-7-9-16/h14-19,21-22H,5-13H2,1-4H3/t14-,15+,17+,18-,19-/m1/s1
InChIKey
BXKKMDORJVTYQV-UWAKZDDMSA-N
Compound name
N'-[(1S)-1-cyclohexylethyl]-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 190.3
[M+Na]+ 329.29272 188.7
[M-H]- 305.29622 189.7
[M+NH4]+ 324.33732 203.9
[M+K]+ 345.26666 188.3
[M+H-H2O]+ 289.30076 178.5
[M+HCOO]- 351.30170 197.7
[M+CH3COO]- 365.31735 221.6
[M+Na-2H]- 327.27817 192.1
[M]+ 306.30295 195.4
[M]- 306.30405 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.