CID 16062566

930272-59-6

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

CC1=CN=C(N=C1)CN

InChI

InChI=1S/C6H9N3/c1-5-3-8-6(2-7)9-4-5/h3-4H,2,7H2,1H3

InChIKey

SGSZFTVNOSOSQE-UHFFFAOYSA-N

Compound name

(5-methylpyrimidin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 123.07965 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]+	124.08693	123.2
[M+Na]+	146.06887	136.1
[M+NH4]+	141.11347	131.6
[M+K]+	162.04281	130.0
[M-H]-	122.07237	125.1
[M+Na-2H]-	144.05432	130.9
[M]+	123.07910	125.4
[M]-	123.08020	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe