CID 24761802

3-(3-formyl-4-hydroxyphenyl)propanoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
C1=CC(=C(C=C1CCC(=O)O)C=O)O
InChI
InChI=1S/C10H10O4/c11-6-8-5-7(1-3-9(8)12)2-4-10(13)14/h1,3,5-6,12H,2,4H2,(H,13,14)
InChIKey
YMGULNJHSFAVDD-UHFFFAOYSA-N
Compound name
3-(3-formyl-4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

42
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 138.5
[M+Na]+ 217.04712 146.6
[M-H]- 193.05062 139.9
[M+NH4]+ 212.09172 156.7
[M+K]+ 233.02106 144.1
[M+H-H2O]+ 177.05516 133.2
[M+HCOO]- 239.05610 160.0
[M+CH3COO]- 253.07175 178.8
[M+Na-2H]- 215.03257 142.6
[M]+ 194.05735 139.5
[M]- 194.05845 139.5
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