CID 98846

2,4,6-trimethyl-3-pyridinamine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=CC(=NC(=C1N)C)C

InChI

InChI=1S/C8H12N2/c1-5-4-6(2)10-7(3)8(5)9/h4H,9H2,1-3H3

InChIKey

MHUDSAALSISURX-UHFFFAOYSA-N

Compound name

2,4,6-trimethylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 136.10005 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe