CID 11063337

Hydroxycaffeic acid

Structural Information

Molecular Formula
C9H8O5
SMILES
C1=CC(=C(C=C1/C=C(/C(=O)O)\O)O)O
InChI
InChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-4,10-12H,(H,13,14)/b8-4-
InChIKey
LEVWXDHUVBDUSV-YWEYNIOJSA-N
Compound name
(Z)-3-(3,4-dihydroxyphenyl)-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

196.03717 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.044446 138.5
[M+Na]+ 219.026388 145.8
[M-H]- 195.029894 137.3
[M+NH4]+ 214.070993 155.1
[M+K]+ 235.000328 143.0
[M+H-H2O]+ 179.034430 133.6
[M+HCOO]- 241.035371 156.4
[M+CH3COO]- 255.051021 173.6
[M+Na-2H]- 217.011836 140.8
[M]+ 196.03662142 136.1
[M]- 196.03771858 136.1
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