CID 96403

2,4-dimethoxy-1-methylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

14
References

13706
Patents

152.08372 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe