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

240
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

literature stripe

Patent stripe

patents stripe