CID 105427493

3,3-dimethyloxetane-2-carboxylic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
CC1(COC1C(=O)O)C
InChI
InChI=1S/C6H10O3/c1-6(2)3-9-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)
InChIKey
NRYCURAFKYIHOV-UHFFFAOYSA-N
Compound name
3,3-dimethyloxetane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.06299 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 125.8
[M+Na]+ 153.05221 131.6
[M+NH4]+ 148.09681 130.7
[M+K]+ 169.02615 128.5
[M-H]- 129.05571 124.1
[M+Na-2H]- 151.03766 128.1
[M]+ 130.06244 124.9
[M]- 130.06354 124.9
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.