CID 171023369

Methyl 5-formyl-4-methoxy-2-methylbenzoate

Structural Information

Molecular Formula
C11H12O4
SMILES
CC1=CC(=C(C=C1C(=O)OC)C=O)OC
InChI
InChI=1S/C11H12O4/c1-7-4-10(14-2)8(6-12)5-9(7)11(13)15-3/h4-6H,1-3H3
InChIKey
QWXUWPPZDTWPEO-UHFFFAOYSA-N
Compound name
methyl 5-formyl-4-methoxy-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 140.5
[M+Na]+ 231.06278 150.2
[M-H]- 207.06628 145.1
[M+NH4]+ 226.10738 160.2
[M+K]+ 247.03672 149.4
[M+H-H2O]+ 191.07082 135.0
[M+HCOO]- 253.07176 164.9
[M+CH3COO]- 267.08741 187.5
[M+Na-2H]- 229.04823 144.7
[M]+ 208.07301 146.2
[M]- 208.07411 146.2
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

No patent data available for this compound.