CID 408836

25547-51-7

Structural Information

Molecular Formula
C10H10O3
SMILES
CC1(C(O1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C10H10O3/c1-10(9(11)12)8(13-10)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)
InChIKey
UPEAOFCHTFWNFG-UHFFFAOYSA-N
Compound name
2-methyl-3-phenyloxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

402
Patents

178.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 134.6
[M+Na]+ 201.05221 144.8
[M-H]- 177.05571 142.4
[M+NH4]+ 196.09681 150.0
[M+K]+ 217.02615 144.3
[M+H-H2O]+ 161.06025 129.4
[M+HCOO]- 223.06119 156.4
[M+CH3COO]- 237.07684 180.5
[M+Na-2H]- 199.03766 142.6
[M]+ 178.06244 138.8
[M]- 178.06354 138.8
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.