CID 85911

Oxiranecarboxylic acid, 3-phenyl-, 2-propenyl ester

Structural Information

Molecular Formula
C12H12O3
SMILES
C=CCOC(=O)C1C(O1)C2=CC=CC=C2
InChI
InChI=1S/C12H12O3/c1-2-8-14-12(13)11-10(15-11)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2
InChIKey
GOGSOMHYWHWPJL-UHFFFAOYSA-N
Compound name
prop-2-enyl 3-phenyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 143.0
[M+Na]+ 227.06786 152.4
[M-H]- 203.07136 151.4
[M+NH4]+ 222.11246 156.1
[M+K]+ 243.04180 150.8
[M+H-H2O]+ 187.07590 136.1
[M+HCOO]- 249.07684 166.1
[M+CH3COO]- 263.09249 187.7
[M+Na-2H]- 225.05331 149.2
[M]+ 204.07809 148.3
[M]- 204.07919 148.3
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