CID 16644492

2,6,8-trimethylquinolin-4-amine

Structural Information

Molecular Formula
C12H14N2
SMILES
CC1=CC(=C2C(=C1)C(=CC(=N2)C)N)C
InChI
InChI=1S/C12H14N2/c1-7-4-8(2)12-10(5-7)11(13)6-9(3)14-12/h4-6H,1-3H3,(H2,13,14)
InChIKey
SLSWQXZTEPDTDH-UHFFFAOYSA-N
Compound name
2,6,8-trimethylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

186.11569 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.8
[M+Na]+ 209.10491 151.4
[M-H]- 185.10841 144.6
[M+NH4]+ 204.14951 160.9
[M+K]+ 225.07885 147.4
[M+H-H2O]+ 169.11295 134.4
[M+HCOO]- 231.11389 163.4
[M+CH3COO]- 245.12954 189.2
[M+Na-2H]- 207.09036 147.2
[M]+ 186.11514 141.0
[M]- 186.11624 141.0
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