CID 177794855

2-ethyl-5-formyl-4-methoxybenzoic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
CCC1=CC(=C(C=C1C(=O)O)C=O)OC
InChI
InChI=1S/C11H12O4/c1-3-7-5-10(15-2)8(6-12)4-9(7)11(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKey
WMFGOVRGXJRAIP-UHFFFAOYSA-N
Compound name
2-ethyl-5-formyl-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 141.3
[M+Na]+ 231.06278 150.4
[M-H]- 207.06628 144.4
[M+NH4]+ 226.10738 160.1
[M+K]+ 247.03672 148.7
[M+H-H2O]+ 191.07082 135.9
[M+HCOO]- 253.07176 164.1
[M+CH3COO]- 267.08741 185.6
[M+Na-2H]- 229.04823 144.9
[M]+ 208.07301 145.1
[M]- 208.07411 145.1
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.