CID 111437

68922-02-1

Structural Information

Molecular Formula
C11H12O4
SMILES
CCOC(=O)C1C(O1)C2=CC=CC=C2O
InChI
InChI=1S/C11H12O4/c1-2-14-11(13)10-9(15-10)7-5-3-4-6-8(7)12/h3-6,9-10,12H,2H2,1H3
InChIKey
YHLXQQKBZYAGLQ-UHFFFAOYSA-N
Compound name
ethyl 3-(2-hydroxyphenyl)oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 141.8
[M+Na]+ 231.06278 151.7
[M-H]- 207.06628 149.3
[M+NH4]+ 226.10738 154.3
[M+K]+ 247.03672 150.2
[M+H-H2O]+ 191.07082 135.3
[M+HCOO]- 253.07176 163.7
[M+CH3COO]- 267.08741 186.3
[M+Na-2H]- 229.04823 147.5
[M]+ 208.07301 147.6
[M]- 208.07411 147.6
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.