CID 86616953

2-(4-formyl-3-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H8O4
SMILES
C1=CC(=C(C=C1CC(=O)O)O)C=O
InChI
InChI=1S/C9H8O4/c10-5-7-2-1-6(3-8(7)11)4-9(12)13/h1-3,5,11H,4H2,(H,12,13)
InChIKey
JCBPFUHDZYKENV-UHFFFAOYSA-N
Compound name
2-(4-formyl-3-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

180.04225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 133.8
[M+Na]+ 203.03147 142.4
[M-H]- 179.03497 135.4
[M+NH4]+ 198.07607 152.6
[M+K]+ 219.00541 140.1
[M+H-H2O]+ 163.03951 128.7
[M+HCOO]- 225.04045 155.7
[M+CH3COO]- 239.05610 175.8
[M+Na-2H]- 201.01692 138.5
[M]+ 180.04170 134.5
[M]- 180.04280 134.5
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