CID 11127419

Vinyl caffeate

Structural Information

Molecular Formula
C11H10O4
SMILES
C=COC(=O)/C=C/C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H10O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h2-7,12-13H,1H2/b6-4+
InChIKey
XVCVDNKCUNGTRP-GQCTYLIASA-N
Compound name
ethenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

206.0579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.2
[M+Na]+ 229.04712 150.3
[M-H]- 205.05062 143.5
[M+NH4]+ 224.09172 160.0
[M+K]+ 245.02106 147.0
[M+H-H2O]+ 189.05516 136.8
[M+HCOO]- 251.05610 163.6
[M+CH3COO]- 265.07175 179.7
[M+Na-2H]- 227.03257 145.8
[M]+ 206.05735 142.7
[M]- 206.05845 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe