CID 504275

N-(-)-cis-myrtanyl-n'-(1s)-(1-ethylcyclohexyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C20H38N2
SMILES
C[C@@H](C1CCCCC1)NCCNC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C
InChI
InChI=1S/C20H38N2/c1-15(16-7-5-4-6-8-16)22-12-11-21-14-17-9-10-18-13-19(17)20(18,2)3/h15-19,21-22H,4-14H2,1-3H3/t15-,17-,18-,19-/m0/s1
InChIKey
WYDJGOJEGQFSAX-WNHJNPCNSA-N
Compound name
N'-[(1S)-1-cyclohexylethyl]-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.3035 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 188.9
[M+Na]+ 329.29272 186.4
[M-H]- 305.29622 188.0
[M+NH4]+ 324.33732 202.2
[M+K]+ 345.26666 186.0
[M+H-H2O]+ 289.30076 176.8
[M+HCOO]- 351.30170 196.4
[M+CH3COO]- 365.31735 220.4
[M+Na-2H]- 327.27817 191.5
[M]+ 306.30295 193.6
[M]- 306.30405 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.