CID 12752288

3,5-dimethoxy-4-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

167.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 133.7
[M+Na]+ 190.08386 143.0
[M-H]- 166.08736 137.8
[M+NH4]+ 185.12846 154.6
[M+K]+ 206.05780 141.8
[M+H-H2O]+ 150.09190 128.2
[M+HCOO]- 212.09284 159.1
[M+CH3COO]- 226.10849 183.0
[M+Na-2H]- 188.06931 139.0
[M]+ 167.09409 135.9
[M]- 167.09519 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