CID 584223

Methyl 2-hydroxy-6-methylbenzoate

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=C(C(=CC=C1)O)C(=O)OC
InChI
InChI=1S/C9H10O3/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5,10H,1-2H3
InChIKey
GPNCYIZKJTXKRO-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

38
Patents

166.06299 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 132.9
[M+Na]+ 189.05221 145.5
[M+NH4]+ 184.09681 140.7
[M+K]+ 205.02615 140.4
[M-H]- 165.05571 134.0
[M+Na-2H]- 187.03766 138.9
[M]+ 166.06244 134.9
[M]- 166.06354 134.9
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