CID 904

Acetanilide

Structural Information

Molecular Formula
C8H9NO
SMILES
CC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChIKey
FZERHIULMFGESH-UHFFFAOYSA-N
Compound name
N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

510
References

61041
Patents

135.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 125.9
[M+Na]+ 158.057638 133.0
[M-H]- 134.061144 129.8
[M+NH4]+ 153.102243 147.4
[M+K]+ 174.031578 131.7
[M+H-H2O]+ 118.065680 120.3
[M+HCOO]- 180.066621 151.3
[M+CH3COO]- 194.082271 174.4
[M+Na-2H]- 156.043086 133.8
[M]+ 135.06787142 124.7
[M]- 135.06896858 124.7
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