CID 19702031

185522-04-7

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 137.6
[M+Na]+ 217.04712 146.9
[M-H]- 193.05062 144.9
[M+NH4]+ 212.09172 150.3
[M+K]+ 233.02106 145.8
[M+H-H2O]+ 177.05516 131.0
[M+HCOO]- 239.05610 159.9
[M+CH3COO]- 253.07175 182.9
[M+Na-2H]- 215.03257 144.4
[M]+ 194.05735 142.7
[M]- 194.05845 142.7
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