CID 42953448

2-(3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-yl)acetic acid

Structural Information

Molecular Formula
C6H7NO4
SMILES
CC1=NOC(=O)C1CC(=O)O
InChI
InChI=1S/C6H7NO4/c1-3-4(2-5(8)9)6(10)11-7-3/h4H,2H2,1H3,(H,8,9)
InChIKey
ZPCMDJHCJUQSQQ-UHFFFAOYSA-N
Compound name
2-(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0375 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 127.6
[M+Na]+ 180.026718 136.8
[M-H]- 156.030224 129.8
[M+NH4]+ 175.071323 147.2
[M+K]+ 196.000658 137.2
[M+H-H2O]+ 140.034760 122.5
[M+HCOO]- 202.035701 149.0
[M+CH3COO]- 216.051351 172.3
[M+Na-2H]- 178.012166 132.1
[M]+ 157.03695142 129.5
[M]- 157.03804858 129.5
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

No patent data available for this compound.