CID 151606842

2-methyl-4-oxooxetane-2-carboxylic acid

Structural Information

Molecular Formula
C5H6O4
SMILES
CC1(CC(=O)O1)C(=O)O
InChI
InChI=1S/C5H6O4/c1-5(4(7)8)2-3(6)9-5/h2H2,1H3,(H,7,8)
InChIKey
QLQQEJSKQBMVHK-UHFFFAOYSA-N
Compound name
2-methyl-4-oxooxetane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.02661 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.033886 118.7
[M+Na]+ 153.015828 125.8
[M-H]- 129.019334 122.3
[M+NH4]+ 148.060433 134.1
[M+K]+ 168.989768 130.2
[M+H-H2O]+ 113.023870 110.6
[M+HCOO]- 175.024811 138.9
[M+CH3COO]- 189.040461 171.0
[M+Na-2H]- 151.001276 126.1
[M]+ 130.02606142 128.5
[M]- 130.02715858 128.5
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.