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 138.8
[M+Na]+ 215.06786 149.3
[M-H]- 191.07136 146.8
[M+NH4]+ 210.11246 155.6
[M+K]+ 231.04180 149.7
[M+H-H2O]+ 175.07590 134.6
[M+HCOO]- 237.07684 159.9
[M+CH3COO]- 251.09249 183.1
[M+Na-2H]- 213.05331 147.4
[M]+ 192.07809 143.9
[M]- 192.07919 143.9
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