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
trans-(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]+ 196.205976 149.2
[M+Na]+ 218.187918 150.1
[M-H]- 194.191424 153.2
[M+NH4]+ 213.232523 167.3
[M+K]+ 234.161858 147.3
[M+H-H2O]+ 178.195960 142.0
[M+HCOO]- 240.196901 165.5
[M+CH3COO]- 254.212551 186.5
[M+Na-2H]- 216.173366 150.2
[M]+ 195.19815142 137.9
[M]- 195.19924858 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.