CID 528617

N-phenylcyclopropanecarboxamide

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC1C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C10H11NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)
InChIKey
OCHYJSATRBHPLB-UHFFFAOYSA-N
Compound name
N-phenylcyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

161.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 131.0
[M+Na]+ 184.07328 139.2
[M-H]- 160.07678 138.6
[M+NH4]+ 179.11788 146.5
[M+K]+ 200.04722 136.5
[M+H-H2O]+ 144.08132 124.4
[M+HCOO]- 206.08226 156.3
[M+CH3COO]- 220.09791 182.4
[M+Na-2H]- 182.05873 138.5
[M]+ 161.08351 131.7
[M]- 161.08461 131.7
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