CID 21626741

Methyl 4-formyl-2-hydroxybenzoate

Structural Information

Molecular Formula
C9H8O4
SMILES
COC(=O)C1=C(C=C(C=C1)C=O)O
InChI
InChI=1S/C9H8O4/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-5,11H,1H3
InChIKey
QHYZSTPHHGRZIS-UHFFFAOYSA-N
Compound name
methyl 4-formyl-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

180.04225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.049526 133.1
[M+Na]+ 203.031468 142.2
[M-H]- 179.034974 136.2
[M+NH4]+ 198.076073 152.8
[M+K]+ 219.005408 140.9
[M+H-H2O]+ 163.039510 127.8
[M+HCOO]- 225.040451 156.5
[M+CH3COO]- 239.056101 177.6
[M+Na-2H]- 201.016916 138.4
[M]+ 180.04170142 135.6
[M]- 180.04279858 135.6
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