CID 81221

2,4-dimethylanisole

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

0
References

4231
Patents

136.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 125.2
[M+Na]+ 159.078038 134.6
[M-H]- 135.081544 129.7
[M+NH4]+ 154.122643 147.9
[M+K]+ 175.051978 133.5
[M+H-H2O]+ 119.086080 120.3
[M+HCOO]- 181.087021 150.2
[M+CH3COO]- 195.102671 175.7
[M+Na-2H]- 157.063486 132.4
[M]+ 136.08827142 127.5
[M]- 136.08936858 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