CID 26722450

[(4,6-dimethyl-2-pyrimidinyl)methyl]amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1=CC(=NC(=N1)CN)C

InChI

InChI=1S/C7H11N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,4,8H2,1-2H3

InChIKey

JBZOSEGGQJXUQN-UHFFFAOYSA-N

Compound name

(4,6-dimethylpyrimidin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 137.09529 Da
Monoisotopic Mass: -0.1
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]+	138.102566	128.4
[M+Na]+	160.084508	137.9
[M-H]-	136.088014	129.5
[M+NH4]+	155.129113	147.7
[M+K]+	176.058448	135.8
[M+H-H2O]+	120.092550	121.6
[M+HCOO]-	182.093491	151.5
[M+CH3COO]-	196.109141	177.0
[M+Na-2H]-	158.069956	135.7
[M]+	137.09474142	127.7
[M]-	137.09583858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe