CID 28937842

(1-phenylcycloheptyl)methanamine

Structural Information

Molecular Formula
C14H21N
SMILES
C1CCCC(CC1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C14H21N/c15-12-14(10-6-1-2-7-11-14)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,15H2
InChIKey
FGKBAXPKRRVDBI-UHFFFAOYSA-N
Compound name
(1-phenylcycloheptyl)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 147.3
[M+Na]+ 226.156618 149.4
[M-H]- 202.160124 153.3
[M+NH4]+ 221.201223 165.8
[M+K]+ 242.130558 150.0
[M+H-H2O]+ 186.164660 141.2
[M+HCOO]- 248.165601 167.0
[M+CH3COO]- 262.181251 158.0
[M+Na-2H]- 224.142066 152.1
[M]+ 203.16685142 137.8
[M]- 203.16794858 137.8
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.