CID 10631650

Methyl 4-formyl-3-methoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

194.0579 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 136.9
[M+Na]+ 217.047118 146.0
[M-H]- 193.050624 141.3
[M+NH4]+ 212.091723 156.8
[M+K]+ 233.021058 145.4
[M+H-H2O]+ 177.055160 131.2
[M+HCOO]- 239.056101 161.5
[M+CH3COO]- 253.071751 183.2
[M+Na-2H]- 215.032566 142.2
[M]+ 194.05735142 141.7
[M]- 194.05844858 141.7
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