CID 59796484

3-methoxy-2,5-dimethylphenol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC(=C(C(=C1)OC)C)O
InChI
InChI=1S/C9H12O2/c1-6-4-8(10)7(2)9(5-6)11-3/h4-5,10H,1-3H3
InChIKey
BKTWCYQXHSDAKV-UHFFFAOYSA-N
Compound name
3-methoxy-2,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

152.08372 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe