CID 13378766

2-oxobutanamide

Structural Information

Molecular Formula
C4H7NO2
SMILES
CCC(=O)C(=O)N
InChI
InChI=1S/C4H7NO2/c1-2-3(6)4(5)7/h2H2,1H3,(H2,5,7)
InChIKey
RRMINFSIXCUCNS-UHFFFAOYSA-N
Compound name
2-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

528
Patents

101.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 118.0
[M+Na]+ 124.03689 125.3
[M-H]- 100.04040 118.3
[M+NH4]+ 119.08150 140.5
[M+K]+ 140.01083 125.8
[M+H-H2O]+ 84.044936 113.6
[M+HCOO]- 146.04588 141.7
[M+CH3COO]- 160.06153 169.0
[M+Na-2H]- 122.02234 122.8
[M]+ 101.04713 116.8
[M]- 101.04822 116.8
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