CID 12280952

Cycloheptyl(phenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
C1CCCC(CC1)C(C2=CC=CC=C2)N
InChI
InChI=1S/C14H21N/c15-14(13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h3,6-7,10-12,14H,1-2,4-5,8-9,15H2
InChIKey
VPFUMGJRSIKPCZ-UHFFFAOYSA-N
Compound name
cycloheptyl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 146.0
[M+Na]+ 226.15662 146.9
[M-H]- 202.16012 151.7
[M+NH4]+ 221.20122 162.6
[M+K]+ 242.13056 148.3
[M+H-H2O]+ 186.16466 139.9
[M+HCOO]- 248.16560 164.8
[M+CH3COO]- 262.18125 156.3
[M+Na-2H]- 224.14207 148.9
[M]+ 203.16685 135.8
[M]- 203.16795 135.8
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

No patent data available for this compound.