CID 81325

Methyl 4-(hydroxymethyl)benzoate

Structural Information

Molecular Formula
C9H10O3
SMILES
COC(=O)C1=CC=C(C=C1)CO
InChI
InChI=1S/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3
InChIKey
VBWFYEFYHJRJER-UHFFFAOYSA-N
Compound name
methyl 4-(hydroxymethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1426
Patents

166.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.4
[M+Na]+ 189.05221 145.5
[M+NH4]+ 184.09681 141.2
[M+K]+ 205.02615 140.2
[M-H]- 165.05571 134.4
[M+Na-2H]- 187.03766 139.5
[M]+ 166.06244 135.2
[M]- 166.06354 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe