CID 4962354

3-(methoxymethyl)benzoic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
COCC1=CC(=CC=C1)C(=O)O
InChI
InChI=1S/C9H10O3/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey
ZPBMOTGPFVLBMN-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

166.06299 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.2
[M+Na]+ 189.05221 145.4
[M+NH4]+ 184.09681 141.0
[M+K]+ 205.02615 140.1
[M-H]- 165.05571 134.2
[M+Na-2H]- 187.03766 139.4
[M]+ 166.06244 135.1
[M]- 166.06354 135.1
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

patents stripe