CID 77844

3,5-dimethoxytoluene

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

20
References

4293
Patents

152.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 128.7
[M+Na]+ 175.07294 138.0
[M-H]- 151.07644 133.1
[M+NH4]+ 170.11754 150.6
[M+K]+ 191.04688 137.4
[M+H-H2O]+ 135.08098 123.5
[M+HCOO]- 197.08192 153.9
[M+CH3COO]- 211.09757 177.6
[M+Na-2H]- 173.05839 135.7
[M]+ 152.08317 132.4
[M]- 152.08427 132.4
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.