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 149.2
[M+Na]+ 218.18792 150.1
[M-H]- 194.19142 153.2
[M+NH4]+ 213.23252 167.3
[M+K]+ 234.16186 147.3
[M+H-H2O]+ 178.19596 142.0
[M+HCOO]- 240.19690 165.5
[M+CH3COO]- 254.21255 186.5
[M+Na-2H]- 216.17337 150.2
[M]+ 195.19815 137.9
[M]- 195.19925 137.9
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.