CID 4658047

2-pyrimidinemethanamine

Structural Information

Molecular Formula

C₅H₇N₃

SMILES

C1=CN=C(N=C1)CN

InChI

InChI=1S/C5H7N3/c6-4-5-7-2-1-3-8-5/h1-3H,4,6H2

InChIKey

ROSKZJGILXBSFM-UHFFFAOYSA-N

Compound name

pyrimidin-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1337
Patents: 109.063995 Da
Monoisotopic Mass: -0.9
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]+	110.07127	119.0
[M+Na]+	132.05321	127.4
[M-H]-	108.05672	119.6
[M+NH4]+	127.09782	138.6
[M+K]+	148.02715	125.8
[M+H-H2O]+	92.061255	112.0
[M+HCOO]-	154.06220	142.7
[M+CH3COO]-	168.07785	168.7
[M+Na-2H]-	130.03866	128.9
[M]+	109.06345	116.7
[M]-	109.06454	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe