CID 66824966

61792-12-9

Structural Information

Molecular Formula
C14H16O2
SMILES
C/C=C(\C)/C(=O)OCC=CC1=CC=CC=C1
InChI
InChI=1S/C14H16O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3/b10-7?,12-3+
InChIKey
KRNURAJANZKGQN-WBJQVTMISA-N
Compound name
3-phenylprop-2-enyl (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

37
Patents

216.11504 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 150.6
[M+Na]+ 239.10426 156.5
[M-H]- 215.10776 153.7
[M+NH4]+ 234.14886 169.1
[M+K]+ 255.07820 153.6
[M+H-H2O]+ 199.11230 144.3
[M+HCOO]- 261.11324 172.7
[M+CH3COO]- 275.12889 187.5
[M+Na-2H]- 237.08971 153.7
[M]+ 216.11449 151.6
[M]- 216.11559 151.6
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.