CID 102002

1,4-cyclohexanebis(methylamine), n,n'-bis(3-norbornylmethyl)-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C24H42N2
SMILES
C1CC(CCC1CNCC2CC3CCC2C3)CNCC4CC5CCC4C5
InChI
InChI=1S/C24H42N2/c1-2-18(14-26-16-24-12-20-6-8-22(24)10-20)4-3-17(1)13-25-15-23-11-19-5-7-21(23)9-19/h17-26H,1-16H2
InChIKey
CSXADVFNSFDICZ-UHFFFAOYSA-N
Compound name
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[4-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.3348 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.34208 189.4
[M+Na]+ 381.32402 187.6
[M-H]- 357.32752 195.5
[M+NH4]+ 376.36862 210.7
[M+K]+ 397.29796 182.1
[M+H-H2O]+ 341.33206 183.7
[M+HCOO]- 403.33300 203.1
[M+CH3COO]- 417.34865 196.3
[M+Na-2H]- 379.30947 181.9
[M]+ 358.33425 181.4
[M]- 358.33535 181.4
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.