CID 11834589

3,3-dimethyl-2-phenyloxirane-2-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1(C(O1)(C2=CC=CC=C2)C(=O)O)C
InChI
InChI=1S/C11H12O3/c1-10(2)11(14-10,9(12)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13)
InChIKey
ABBBAXAFEXFVHF-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-phenyloxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 144.1
[M+Na]+ 215.06786 158.3
[M+NH4]+ 210.11246 155.4
[M+K]+ 231.04180 151.1
[M-H]- 191.07136 155.1
[M+Na-2H]- 213.05331 156.0
[M]+ 192.07809 150.8
[M]- 192.07919 150.8
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

patents stripe