CID 14553933

3-methoxy-4-(methoxymethyl)benzoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
COCC1=C(C=C(C=C1)C(=O)O)OC
InChI
InChI=1S/C10H12O4/c1-13-6-8-4-3-7(10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey
RJPSCKDGMMHUIK-UHFFFAOYSA-N
Compound name
3-methoxy-4-(methoxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

196.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.1
[M+Na]+ 219.06278 147.4
[M-H]- 195.06628 141.9
[M+NH4]+ 214.10738 158.1
[M+K]+ 235.03672 146.4
[M+H-H2O]+ 179.07082 133.5
[M+HCOO]- 241.07176 162.0
[M+CH3COO]- 255.08741 182.2
[M+Na-2H]- 217.04823 143.8
[M]+ 196.07301 142.8
[M]- 196.07411 142.8
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