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

6
Patents

180.04225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.049526 133.8
[M+Na]+ 203.031468 142.4
[M-H]- 179.034974 135.4
[M+NH4]+ 198.076073 152.6
[M+K]+ 219.005408 140.1
[M+H-H2O]+ 163.039510 128.7
[M+HCOO]- 225.040451 155.7
[M+CH3COO]- 239.056101 175.8
[M+Na-2H]- 201.016916 138.5
[M]+ 180.04170142 134.5
[M]- 180.04279858 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