CID 58842662

(1-benzylcyclohexyl)methanamine hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
C1CCC(CC1)(CC2=CC=CC=C2)CN
InChI
InChI=1S/C14H21N/c15-12-14(9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12,15H2
InChIKey
SHPHAKYTGBPREH-UHFFFAOYSA-N
Compound name
(1-benzylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

203.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 149.0
[M+Na]+ 226.156618 152.6
[M-H]- 202.160124 153.9
[M+NH4]+ 221.201223 168.8
[M+K]+ 242.130558 149.1
[M+H-H2O]+ 186.164660 141.9
[M+HCOO]- 248.165601 169.5
[M+CH3COO]- 262.181251 186.8
[M+Na-2H]- 224.142066 154.3
[M]+ 203.16685142 142.3
[M]- 203.16794858 142.3
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

patents stripe