CID 6435452

3-salicyloylacrylic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C(=O)O)O
InChI
InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-6,11H,(H,13,14)/b6-5+
InChIKey
WACXXOUTJZQPTN-AATRIKPKSA-N
Compound name
(E)-4-(2-hydroxyphenyl)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

192.04225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 138.1
[M+Na]+ 215.03147 145.4
[M-H]- 191.03497 139.3
[M+NH4]+ 210.07607 156.1
[M+K]+ 231.00541 142.8
[M+H-H2O]+ 175.03951 132.8
[M+HCOO]- 237.04045 158.9
[M+CH3COO]- 251.05610 177.0
[M+Na-2H]- 213.01692 141.7
[M]+ 192.04170 137.4
[M]- 192.04280 137.4
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