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]+ 204.174676 146.0
[M+Na]+ 226.156618 146.9
[M-H]- 202.160124 151.7
[M+NH4]+ 221.201223 162.6
[M+K]+ 242.130558 148.3
[M+H-H2O]+ 186.164660 139.9
[M+HCOO]- 248.165601 164.8
[M+CH3COO]- 262.181251 156.3
[M+Na-2H]- 224.142066 148.9
[M]+ 203.16685142 135.8
[M]- 203.16794858 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.