CID 14170052

Ethyl 2-methyl-3-(4-methylphenyl)prop-2-enoate

Structural Information

Molecular Formula
C13H16O2
SMILES
CCOC(=O)/C(=C/C1=CC=C(C=C1)C)/C
InChI
InChI=1S/C13H16O2/c1-4-15-13(14)11(3)9-12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3/b11-9+
InChIKey
OYLIWRZHBODATL-PKNBQFBNSA-N
Compound name
ethyl (E)-2-methyl-3-(4-methylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

204.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 146.1
[M+Na]+ 227.10426 153.0
[M-H]- 203.10776 149.7
[M+NH4]+ 222.14886 165.4
[M+K]+ 243.07820 151.0
[M+H-H2O]+ 187.11230 140.2
[M+HCOO]- 249.11324 168.3
[M+CH3COO]- 263.12889 187.2
[M+Na-2H]- 225.08971 149.1
[M]+ 204.11449 148.0
[M]- 204.11559 148.0
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