CID 121552961

Methyl 2-formyl-4-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

180.04225 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe