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 135.7
[M+Na]+ 203.03147 147.2
[M+NH4]+ 198.07607 142.2
[M+K]+ 219.00541 142.9
[M-H]- 179.03497 135.4
[M+Na-2H]- 201.01692 140.4
[M]+ 180.04170 136.9
[M]- 180.04280 136.9
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