CID 5362581

Ethyl methyl-p-tolylglycidate

Structural Information

Molecular Formula
C13H16O3
SMILES
CCOC(=O)C1C(O1)(C)C2=CC=C(C=C2)C
InChI
InChI=1S/C13H16O3/c1-4-15-12(14)11-13(3,16-11)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3
InChIKey
RJQNJKOCFCXTHZ-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-3-(4-methylphenyl)oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

95
Patents

220.10994 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 147.6
[M+Na]+ 243.09916 157.8
[M-H]- 219.10266 156.5
[M+NH4]+ 238.14376 162.4
[M+K]+ 259.07310 157.6
[M+H-H2O]+ 203.10720 141.8
[M+HCOO]- 265.10814 169.8
[M+CH3COO]- 279.12379 192.0
[M+Na-2H]- 241.08461 153.7
[M]+ 220.10939 154.8
[M]- 220.11049 154.8
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