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

7
Patents

203.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 149.0
[M+Na]+ 226.15662 152.6
[M-H]- 202.16012 153.9
[M+NH4]+ 221.20122 168.8
[M+K]+ 242.13056 149.1
[M+H-H2O]+ 186.16466 141.9
[M+HCOO]- 248.16560 169.5
[M+CH3COO]- 262.18125 186.8
[M+Na-2H]- 224.14207 154.3
[M]+ 203.16685 142.3
[M]- 203.16795 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