CID 3063996

Cyclohexylamine, 2-(cyclohexylmethyl)-, sulfate (z)-

Structural Information

Molecular Formula
C13H25N
SMILES
C1CCC(CC1)C[C@H]2CCCC[C@H]2N
InChI
InChI=1S/C13H25N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h11-13H,1-10,14H2/t12-,13-/m1/s1
InChIKey
WEKJRCTYKLQCDR-CHWSQXEVSA-N
Compound name
(1R,2R)-2-(cyclohexylmethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.1987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.20598 149.9
[M+Na]+ 218.18792 159.4
[M+NH4]+ 213.23252 159.8
[M+K]+ 234.16186 151.8
[M-H]- 194.19142 155.1
[M+Na-2H]- 216.17337 155.5
[M]+ 195.19815 152.5
[M]- 195.19925 152.5
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.