CID 365130

N-(2-nitrophenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CC(=O)CC(=O)NC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O4/c1-7(13)6-10(14)11-8-4-2-3-5-9(8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
InChIKey
ZBRNSHANCDLJAA-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

222.06406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 145.2
[M+Na]+ 245.05328 150.9
[M-H]- 221.05678 148.9
[M+NH4]+ 240.09788 162.0
[M+K]+ 261.02722 145.8
[M+H-H2O]+ 205.06132 143.3
[M+HCOO]- 267.06226 170.4
[M+CH3COO]- 281.07791 184.4
[M+Na-2H]- 243.03873 151.1
[M]+ 222.06351 143.9
[M]- 222.06461 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe