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]+ 204.17468 147.3
[M+Na]+ 226.15662 149.4
[M-H]- 202.16012 153.3
[M+NH4]+ 221.20122 165.8
[M+K]+ 242.13056 150.0
[M+H-H2O]+ 186.16466 141.2
[M+HCOO]- 248.16560 167.0
[M+CH3COO]- 262.18125 158.0
[M+Na-2H]- 224.14207 152.1
[M]+ 203.16685 137.8
[M]- 203.16795 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.