CID 10774245

Dicyclohexylmethanamine

Structural Information

Molecular Formula
C13H25N
SMILES
C1CCC(CC1)C(C2CCCCC2)N
InChI
InChI=1S/C13H25N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10,14H2
InChIKey
QVQGTNFYPJQJNM-UHFFFAOYSA-N
Compound name
dicyclohexylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9695
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 149.7
[M+Na]+ 218.187918 149.3
[M-H]- 194.191424 153.3
[M+NH4]+ 213.232523 167.4
[M+K]+ 234.161858 147.0
[M+H-H2O]+ 178.195960 142.4
[M+HCOO]- 240.196901 165.0
[M+CH3COO]- 254.212551 186.3
[M+Na-2H]- 216.173366 150.1
[M]+ 195.19815142 137.3
[M]- 195.19924858 137.3
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