CID 155858455

2580202-14-6

Structural Information

Molecular Formula
C8H12O4
SMILES
C=CCC1(COC1)OCC(=O)O
InChI
InChI=1S/C8H12O4/c1-2-3-8(5-11-6-8)12-4-7(9)10/h2H,1,3-6H2,(H,9,10)
InChIKey
VEZBIUUOMNZPEA-UHFFFAOYSA-N
Compound name
2-(3-prop-2-enyloxetan-3-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 133.5
[M+Na]+ 195.062778 138.5
[M-H]- 171.066284 136.2
[M+NH4]+ 190.107383 147.0
[M+K]+ 211.036718 142.1
[M+H-H2O]+ 155.070820 124.5
[M+HCOO]- 217.071761 152.8
[M+CH3COO]- 231.087411 178.7
[M+Na-2H]- 193.048226 139.8
[M]+ 172.07301142 143.9
[M]- 172.07410858 143.9
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.