CID 55300064

3,3-dimethyl-4-oxooxetane-2-carboxylic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
CC1(C(OC1=O)C(=O)O)C
InChI
InChI=1S/C6H8O4/c1-6(2)3(4(7)8)10-5(6)9/h3H,1-2H3,(H,7,8)
InChIKey
DKZPGRSLLXYEMK-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-oxooxetane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

144.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 128.7
[M+Na]+ 167.03147 134.3
[M+NH4]+ 162.07607 132.7
[M+K]+ 183.00541 131.8
[M-H]- 143.03497 126.2
[M+Na-2H]- 165.01692 130.1
[M]+ 144.04170 127.5
[M]- 144.04280 127.5
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

patents stripe