CID 16076449

N'-(1-adamantylmethyl)-n-[2-(cyclohexen-1-yl)ethyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C21H36N2
SMILES
C1CCC(=CC1)CCNCCNCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C21H36N2/c1-2-4-17(5-3-1)6-7-22-8-9-23-16-21-13-18-10-19(14-21)12-20(11-18)15-21/h4,18-20,22-23H,1-3,5-16H2
InChIKey
YSKVVKQJBKSPOZ-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.28784 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29512 172.0
[M+Na]+ 339.27706 168.3
[M-H]- 315.28056 167.8
[M+NH4]+ 334.32166 191.9
[M+K]+ 355.25100 163.1
[M+H-H2O]+ 299.28510 162.7
[M+HCOO]- 361.28604 177.0
[M+CH3COO]- 375.30169 176.7
[M+Na-2H]- 337.26251 180.2
[M]+ 316.28729 167.5
[M]- 316.28839 167.5
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.