CID 606426

Methyl 5-acetyl-2-methoxybenzoate

Structural Information

Molecular Formula
C11H12O4
SMILES
CC(=O)C1=CC(=C(C=C1)OC)C(=O)OC
InChI
InChI=1S/C11H12O4/c1-7(12)8-4-5-10(14-2)9(6-8)11(13)15-3/h4-6H,1-3H3
InChIKey
KPDRDAXDDZAPHS-UHFFFAOYSA-N
Compound name
methyl 5-acetyl-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

208.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 141.5
[M+Na]+ 231.062778 149.9
[M-H]- 207.066284 145.7
[M+NH4]+ 226.107383 160.7
[M+K]+ 247.036718 149.5
[M+H-H2O]+ 191.070820 135.7
[M+HCOO]- 253.071761 164.8
[M+CH3COO]- 267.087411 187.1
[M+Na-2H]- 229.048226 145.0
[M]+ 208.07301142 146.0
[M]- 208.07410858 146.0
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