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]+ 193.085916 138.8
[M+Na]+ 215.067858 149.3
[M-H]- 191.071364 146.8
[M+NH4]+ 210.112463 155.6
[M+K]+ 231.041798 149.7
[M+H-H2O]+ 175.075900 134.6
[M+HCOO]- 237.076841 159.9
[M+CH3COO]- 251.092491 183.1
[M+Na-2H]- 213.053306 147.4
[M]+ 192.07809142 143.9
[M]- 192.07918858 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