CID 7144

2-methoxy-4-methylphenol

Structural Information

Molecular Formula
C8H10O2
SMILES
CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
InChIKey
PETRWTHZSKVLRE-UHFFFAOYSA-N
Compound name
2-methoxy-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

137
References

11590
Patents

138.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 124.9
[M+Na]+ 161.05730 134.2
[M-H]- 137.06080 128.1
[M+NH4]+ 156.10190 146.6
[M+K]+ 177.03124 132.8
[M+H-H2O]+ 121.06534 120.1
[M+HCOO]- 183.06628 148.8
[M+CH3COO]- 197.08193 171.9
[M+Na-2H]- 159.04275 131.9
[M]+ 138.06753 126.3
[M]- 138.06863 126.3
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