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

193
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 132.3
[M+Na]+ 189.05221 140.2
[M-H]- 165.05571 134.9
[M+NH4]+ 184.09681 152.3
[M+K]+ 205.02615 138.9
[M+H-H2O]+ 149.06025 126.9
[M+HCOO]- 211.06119 155.3
[M+CH3COO]- 225.07684 175.8
[M+Na-2H]- 187.03766 138.2
[M]+ 166.06244 133.7
[M]- 166.06354 133.7
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