CID 354091

Methyl 3-hydroxy-4-methylbenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

373
Patents

166.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.070266 131.6
[M+Na]+ 189.052208 140.5
[M-H]- 165.055714 134.7
[M+NH4]+ 184.096813 152.1
[M+K]+ 205.026148 139.3
[M+H-H2O]+ 149.060250 126.6
[M+HCOO]- 211.061191 154.7
[M+CH3COO]- 225.076841 176.3
[M+Na-2H]- 187.037656 136.8
[M]+ 166.06244142 133.4
[M]- 166.06353858 133.4
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