CID 97606

1-phenylcyclopentanecarboxamide

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CCC(C1)(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C12H15NO/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,14)
InChIKey
YVYGTOKASGORSO-UHFFFAOYSA-N
Compound name
1-phenylcyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

144
Patents

189.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 143.0
[M+Na]+ 212.104588 148.5
[M-H]- 188.108094 148.9
[M+NH4]+ 207.149193 165.2
[M+K]+ 228.078528 145.7
[M+H-H2O]+ 172.112630 136.9
[M+HCOO]- 234.113571 165.8
[M+CH3COO]- 248.129221 182.3
[M+Na-2H]- 210.090036 146.8
[M]+ 189.11482142 138.0
[M]- 189.11591858 138.0
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