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

92
Patents

180.04225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 133.1
[M+Na]+ 203.03147 142.2
[M-H]- 179.03497 136.2
[M+NH4]+ 198.07607 152.8
[M+K]+ 219.00541 140.9
[M+H-H2O]+ 163.03951 127.8
[M+HCOO]- 225.04045 156.5
[M+CH3COO]- 239.05610 177.6
[M+Na-2H]- 201.01692 138.4
[M]+ 180.04170 135.6
[M]- 180.04280 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