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 122.7
[M+Na]+ 167.03147 130.3
[M-H]- 143.03497 126.5
[M+NH4]+ 162.07607 137.9
[M+K]+ 183.00541 134.4
[M+H-H2O]+ 127.03951 114.8
[M+HCOO]- 189.04045 142.6
[M+CH3COO]- 203.05610 175.2
[M+Na-2H]- 165.01692 128.9
[M]+ 144.04170 133.2
[M]- 144.04280 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