CID 5367711

2-propenoic acid, 3-phenyl-, (3z)-3-hexenyl ester

Structural Information

Molecular Formula
C15H18O2
SMILES
CC/C=C\CCOC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3/b4-3-,12-11+
InChIKey
FKWGVMQNGUQXDN-FECXASIGSA-N
Compound name
[(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

59
Patents

230.13068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 155.1
[M+Na]+ 253.11990 160.8
[M-H]- 229.12340 157.9
[M+NH4]+ 248.16450 173.1
[M+K]+ 269.09384 157.1
[M+H-H2O]+ 213.12794 148.5
[M+HCOO]- 275.12888 177.8
[M+CH3COO]- 289.14453 189.7
[M+Na-2H]- 251.10535 158.9
[M]+ 230.13013 157.1
[M]- 230.13123 157.1
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