CID 18510332

Methyl 4-formyl-2-methoxybenzoate

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=C(C=CC(=C1)C=O)C(=O)OC
InChI
InChI=1S/C10H10O4/c1-13-9-5-7(6-11)3-4-8(9)10(12)14-2/h3-6H,1-2H3
InChIKey
HUDAKRNJXBCEOW-UHFFFAOYSA-N
Compound name
methyl 4-formyl-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

194.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 139.0
[M+Na]+ 217.04712 151.5
[M+NH4]+ 212.09172 146.2
[M+K]+ 233.02106 146.3
[M-H]- 193.05062 139.8
[M+Na-2H]- 215.03257 144.8
[M]+ 194.05735 140.9
[M]- 194.05845 140.9
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

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