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]+ 158.04478 127.6
[M+Na]+ 180.02672 136.8
[M-H]- 156.03022 129.8
[M+NH4]+ 175.07132 147.2
[M+K]+ 196.00066 137.2
[M+H-H2O]+ 140.03476 122.5
[M+HCOO]- 202.03570 149.0
[M+CH3COO]- 216.05135 172.3
[M+Na-2H]- 178.01217 132.1
[M]+ 157.03695 129.5
[M]- 157.03805 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.