CID 299588

4-aminodicyclohexylmethane

Structural Information

Molecular Formula
C13H25N
SMILES
C1CCC(CC1)CC2CCC(CC2)N
InChI
InChI=1S/C13H25N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10,14H2
InChIKey
BHMDNHIWCXQHCM-UHFFFAOYSA-N
Compound name
4-(cyclohexylmethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

263
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

literature stripe

Patent stripe

patents stripe