CID 365127

Nsc632227

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC(=O)CC(=O)NC=O
InChI
InChI=1S/C5H7NO3/c1-4(8)2-5(9)6-3-7/h3H,2H2,1H3,(H,6,7,9)
InChIKey
AZKOSEJTNMVHTF-UHFFFAOYSA-N
Compound name
N-formyl-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

129.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 123.4
[M+Na]+ 152.03181 130.7
[M-H]- 128.03531 124.1
[M+NH4]+ 147.07641 145.0
[M+K]+ 168.00575 131.1
[M+H-H2O]+ 112.03985 118.7
[M+HCOO]- 174.04079 147.9
[M+CH3COO]- 188.05644 173.1
[M+Na-2H]- 150.01726 128.8
[M]+ 129.04204 124.4
[M]- 129.04314 124.4
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