CID 155858666

2580202-36-2

Structural Information

Molecular Formula
C7H10O4
SMILES
C=CC1(COC1)OCC(=O)O
InChI
InChI=1S/C7H10O4/c1-2-7(4-10-5-7)11-3-6(8)9/h2H,1,3-5H2,(H,8,9)
InChIKey
POTJUFZKJAVZIH-UHFFFAOYSA-N
Compound name
2-(3-ethenyloxetan-3-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0579 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 128.8
[M+Na]+ 181.04712 134.2
[M-H]- 157.05062 131.7
[M+NH4]+ 176.09172 142.8
[M+K]+ 197.02106 138.1
[M+H-H2O]+ 141.05516 120.0
[M+HCOO]- 203.05610 148.4
[M+CH3COO]- 217.07175 175.8
[M+Na-2H]- 179.03257 135.7
[M]+ 158.05735 138.9
[M]- 158.05845 138.9
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.