CID 19702031

3-(oxiran-2-ylmethoxy)benzoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
C1C(O1)COC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H10O4/c11-10(12)7-2-1-3-8(4-7)13-5-9-6-14-9/h1-4,9H,5-6H2,(H,11,12)
InChIKey
XYAVQXSVVRVAKJ-UHFFFAOYSA-N
Compound name
3-(oxiran-2-ylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

194.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 142.2
[M+Na]+ 217.04712 155.7
[M+NH4]+ 212.09172 150.3
[M+K]+ 233.02106 152.3
[M-H]- 193.05062 152.3
[M+Na-2H]- 215.03257 150.7
[M]+ 194.05735 148.0
[M]- 194.05845 148.0
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