CID 23005306

(2e)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O)C=O)O
InChI
InChI=1S/C10H8O4/c11-6-8-5-7(1-3-9(8)12)2-4-10(13)14/h1-6,12H,(H,13,14)/b4-2+
InChIKey
OIRQJQBTHILALM-DUXPYHPUSA-N
Compound name
(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

192.04225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 137.3
[M+Na]+ 215.03147 145.8
[M-H]- 191.03497 138.8
[M+NH4]+ 210.07607 155.6
[M+K]+ 231.00541 142.7
[M+H-H2O]+ 175.03951 132.1
[M+HCOO]- 237.04045 159.0
[M+CH3COO]- 251.05610 177.3
[M+Na-2H]- 213.01692 141.4
[M]+ 192.04170 137.5
[M]- 192.04280 137.5
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