CID 45079545

(5,6-dimethylpyridin-2-yl)methanamine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=C(N=C(C=C1)CN)C

InChI

InChI=1S/C8H12N2/c1-6-3-4-8(5-9)10-7(6)2/h3-4H,5,9H2,1-2H3

InChIKey

HITBXYYBJWZHOF-UHFFFAOYSA-N

Compound name

(5,6-dimethyl-2-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 136.10005 Da
Monoisotopic Mass: 0.5
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	127.9
[M+Na]+	159.089268	136.9
[M-H]-	135.092774	130.3
[M+NH4]+	154.133873	148.5
[M+K]+	175.063208	134.7
[M+H-H2O]+	119.097310	121.8
[M+HCOO]-	181.098251	151.9
[M+CH3COO]-	195.113901	177.3
[M+Na-2H]-	157.074716	134.6
[M]+	136.09950142	127.0
[M]-	136.10059858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe