CID 16076463

N-[2-(cyclohexen-1-yl)ethyl]-n'-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C20H36N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCC3=CCCCC3)C
InChI
InChI=1S/C20H36N2/c1-20(2)18-9-8-17(19(20)14-18)15-22-13-12-21-11-10-16-6-4-3-5-7-16/h6,17-19,21-22H,3-5,7-15H2,1-2H3/t17-,18-,19-/m0/s1
InChIKey
WWXVBBPXLKVKHO-FHWLQOOXSA-N
Compound name
N-[2-(cyclohexen-1-yl)ethyl]-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

0
References

0
Patents

304.28784 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.29512 185.4
[M+Na]+ 327.27706 184.4
[M-H]- 303.28056 185.0
[M+NH4]+ 322.32166 199.0
[M+K]+ 343.25100 183.2
[M+H-H2O]+ 287.28510 173.1
[M+HCOO]- 349.28604 195.5
[M+CH3COO]- 363.30169 219.2
[M+Na-2H]- 325.26251 190.3
[M]+ 304.28729 192.3
[M]- 304.28839 192.3
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.