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

3
Patents

144.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 122.7
[M+Na]+ 167.031468 130.3
[M-H]- 143.034974 126.5
[M+NH4]+ 162.076073 137.9
[M+K]+ 183.005408 134.4
[M+H-H2O]+ 127.039510 114.8
[M+HCOO]- 189.040451 142.6
[M+CH3COO]- 203.056101 175.2
[M+Na-2H]- 165.016916 128.9
[M]+ 144.04170142 133.2
[M]- 144.04279858 133.2
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