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]+ 205.122316 146.1
[M+Na]+ 227.104258 153.0
[M-H]- 203.107764 149.7
[M+NH4]+ 222.148863 165.4
[M+K]+ 243.078198 151.0
[M+H-H2O]+ 187.112300 140.2
[M+HCOO]- 249.113241 168.3
[M+CH3COO]- 263.128891 187.2
[M+Na-2H]- 225.089706 149.1
[M]+ 204.11449142 148.0
[M]- 204.11558858 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