CID 22952996

4,5,6-trimethylpyridin-3-amine

Structural Information

Molecular Formula
C8H12N2
SMILES
CC1=C(C(=CN=C1C)N)C
InChI
InChI=1S/C8H12N2/c1-5-6(2)8(9)4-10-7(5)3/h4H,9H2,1-3H3
InChIKey
NUOBZEUVCGDJNU-UHFFFAOYSA-N
Compound name
4,5,6-trimethylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

136.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 127.6
[M+Na]+ 159.089268 137.6
[M-H]- 135.092774 130.5
[M+NH4]+ 154.133873 148.6
[M+K]+ 175.063208 135.4
[M+H-H2O]+ 119.097310 121.9
[M+HCOO]- 181.098251 151.7
[M+CH3COO]- 195.113901 178.5
[M+Na-2H]- 157.074716 133.6
[M]+ 136.09950142 127.1
[M]- 136.10059858 127.1
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