CID 78411

3,4-dimethylanisole

Structural Information

Molecular Formula
C9H12O
SMILES
CC1=C(C=C(C=C1)OC)C
InChI
InChI=1S/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3
InChIKey
LVUBSVWMOWKPDJ-UHFFFAOYSA-N
Compound name
4-methoxy-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5536
Patents

136.08882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 125.2
[M+Na]+ 159.07804 134.6
[M-H]- 135.08154 129.7
[M+NH4]+ 154.12264 147.9
[M+K]+ 175.05198 133.5
[M+H-H2O]+ 119.08608 120.3
[M+HCOO]- 181.08702 150.2
[M+CH3COO]- 195.10267 175.7
[M+Na-2H]- 157.06349 132.4
[M]+ 136.08827 127.5
[M]- 136.08937 127.5
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