CID 28908514

870516-92-0

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

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

InChI

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

InChIKey

JXTNMIYLGHMIKV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	138.10257	128.4
[M+Na]+	160.08451	137.9
[M-H]-	136.08801	129.5
[M+NH4]+	155.12911	147.7
[M+K]+	176.05845	135.8
[M+H-H2O]+	120.09255	121.6
[M+HCOO]-	182.09349	151.5
[M+CH3COO]-	196.10914	177.0
[M+Na-2H]-	158.06996	135.7
[M]+	137.09474	127.7
[M]-	137.09584	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe