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]+ 195.065176 137.6
[M+Na]+ 217.047118 146.9
[M-H]- 193.050624 144.9
[M+NH4]+ 212.091723 150.3
[M+K]+ 233.021058 145.8
[M+H-H2O]+ 177.055160 131.0
[M+HCOO]- 239.056101 159.9
[M+CH3COO]- 253.071751 182.9
[M+Na-2H]- 215.032566 144.4
[M]+ 194.05735142 142.7
[M]- 194.05844858 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