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]+ 173.08084 133.5
[M+Na]+ 195.06278 138.5
[M-H]- 171.06628 136.2
[M+NH4]+ 190.10738 147.0
[M+K]+ 211.03672 142.1
[M+H-H2O]+ 155.07082 124.5
[M+HCOO]- 217.07176 152.8
[M+CH3COO]- 231.08741 178.7
[M+Na-2H]- 193.04823 139.8
[M]+ 172.07301 143.9
[M]- 172.07411 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.