CID 14028998

3-ethyloxetane-3-carboxylic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
CCC1(COC1)C(=O)O
InChI
InChI=1S/C6H10O3/c1-2-6(5(7)8)3-9-4-6/h2-4H2,1H3,(H,7,8)
InChIKey
MVJXOACCRTZVJY-UHFFFAOYSA-N
Compound name
3-ethyloxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

124
Patents

130.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 123.0
[M+Na]+ 153.052208 128.8
[M-H]- 129.055714 126.2
[M+NH4]+ 148.096813 138.4
[M+K]+ 169.026148 133.0
[M+H-H2O]+ 113.060250 114.7
[M+HCOO]- 175.061191 142.6
[M+CH3COO]- 189.076841 171.6
[M+Na-2H]- 151.037656 130.4
[M]+ 130.06244142 132.1
[M]- 130.06353858 132.1
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