CID 6482268

N'-(2-adamantyl)-n-(cyclooctylmethyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C21H38N2
SMILES
C1CCCC(CCC1)CNCCNC2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C21H38N2/c1-2-4-6-16(7-5-3-1)15-22-8-9-23-21-19-11-17-10-18(13-19)14-20(21)12-17/h16-23H,1-15H2
InChIKey
ITVNUFVMWMYBIY-UHFFFAOYSA-N
Compound name
N'-(2-adamantyl)-N-(cyclooctylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.3035 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.31078 184.7
[M+Na]+ 341.29272 183.9
[M-H]- 317.29622 182.8
[M+NH4]+ 336.33732 192.5
[M+K]+ 357.26666 182.4
[M+H-H2O]+ 301.30076 179.3
[M+HCOO]- 363.30170 185.5
[M+CH3COO]- 377.31735 184.7
[M+Na-2H]- 339.27817 182.9
[M]+ 318.30295 180.9
[M]- 318.30405 180.9
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.