CID 19092993

3,5-dimethoxy-2-methylaniline hydrochloride

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC1=C(C=C(C=C1OC)OC)N
InChI
InChI=1S/C9H13NO2/c1-6-8(10)4-7(11-2)5-9(6)12-3/h4-5H,10H2,1-3H3
InChIKey
XNCGHPSDJDLXOW-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

167.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 133.7
[M+Na]+ 190.083858 143.0
[M-H]- 166.087364 137.8
[M+NH4]+ 185.128463 154.6
[M+K]+ 206.057798 141.8
[M+H-H2O]+ 150.091900 128.2
[M+HCOO]- 212.092841 159.1
[M+CH3COO]- 226.108491 183.0
[M+Na-2H]- 188.069306 139.0
[M]+ 167.09409142 135.9
[M]- 167.09518858 135.9
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

patents stripe