CID 4570782

N-(4-acetylphenyl)formamide

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC(=O)C1=CC=C(C=C1)NC=O
InChI
InChI=1S/C9H9NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-6H,1H3,(H,10,11)
InChIKey
GFPJVIAZPWVQRL-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

163.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 133.2
[M+Na]+ 186.05254 145.1
[M+NH4]+ 181.09714 141.2
[M+K]+ 202.02648 139.3
[M-H]- 162.05604 135.2
[M+Na-2H]- 184.03799 140.0
[M]+ 163.06277 135.3
[M]- 163.06387 135.3
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