CID 73996

Methoxyxylenol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC(=CC(=C1O)C)OC
InChI
InChI=1S/C9H12O2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3
InChIKey
UCHRDYUBDZOFBJ-UHFFFAOYSA-N
Compound name
4-methoxy-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

91
Patents

152.08372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 128.8
[M+Na]+ 175.07294 138.6
[M-H]- 151.07644 132.2
[M+NH4]+ 170.11754 150.3
[M+K]+ 191.04688 137.0
[M+H-H2O]+ 135.08098 124.1
[M+HCOO]- 197.08192 152.4
[M+CH3COO]- 211.09757 176.2
[M+Na-2H]- 173.05839 134.6
[M]+ 152.08317 131.0
[M]- 152.08427 131.0
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

No patent data available for this compound.