CID 12280947

Cyclopentyl(phenyl)methanamine

Structural Information

Molecular Formula
C12H17N
SMILES
C1CCC(C1)C(C2=CC=CC=C2)N
InChI
InChI=1S/C12H17N/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2
InChIKey
PLNFMVFGDNZPJI-UHFFFAOYSA-N
Compound name
cyclopentyl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.5
[M+Na]+ 198.12532 144.7
[M-H]- 174.12882 146.0
[M+NH4]+ 193.16992 161.4
[M+K]+ 214.09926 142.0
[M+H-H2O]+ 158.13336 133.8
[M+HCOO]- 220.13430 162.9
[M+CH3COO]- 234.14995 181.7
[M+Na-2H]- 196.11077 143.3
[M]+ 175.13555 134.4
[M]- 175.13665 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe