CID 116173

1,4-cyclohexanebis(methylamine), n,n'-dicyclooctyl-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C24H46N2
SMILES
C1CCCC(CCC1)NCC2CCC(CC2)CNC3CCCCCCC3
InChI
InChI=1S/C24H46N2/c1-3-7-11-23(12-8-4-1)25-19-21-15-17-22(18-16-21)20-26-24-13-9-5-2-6-10-14-24/h21-26H,1-20H2
InChIKey
RNXXOGIHQFRKPA-UHFFFAOYSA-N
Compound name
N-[[4-[(cyclooctylamino)methyl]cyclohexyl]methyl]cyclooctanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.3661 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.37338 126.8
[M+Na]+ 385.35532 127.5
[M-H]- 361.35882 127.2
[M+NH4]+ 380.39992 127.4
[M+K]+ 401.32926 127.8
[M+H-H2O]+ 345.36336 125.8
[M+HCOO]- 407.36430 127.3
[M+CH3COO]- 421.37995 126.8
[M+Na-2H]- 383.34077 125.9
[M]+ 362.36555 126.3
[M]- 362.36665 126.3
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.