CID 16076270

N-(1-adamantylmethyl)-n'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C21H38N2
SMILES
CC1CCCC(C1C)NCCNCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C21H38N2/c1-15-4-3-5-20(16(15)2)23-7-6-22-14-21-11-17-8-18(12-21)10-19(9-17)13-21/h15-20,22-23H,3-14H2,1-2H3
InChIKey
RNJFNWDRERUELZ-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.3035 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.31078 176.4
[M+Na]+ 341.29272 173.4
[M-H]- 317.29622 172.4
[M+NH4]+ 336.33732 196.8
[M+K]+ 357.26666 168.4
[M+H-H2O]+ 301.30076 167.7
[M+HCOO]- 363.30170 179.6
[M+CH3COO]- 377.31735 181.1
[M+Na-2H]- 339.27817 182.1
[M]+ 318.30295 171.1
[M]- 318.30405 171.1
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.