CID 16227936

929973-95-5

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1=CN=C(N=C1CN)N

InChI

InChI=1S/C5H8N4/c6-3-4-1-2-8-5(7)9-4/h1-2H,3,6H2,(H2,7,8,9)

InChIKey

OXERKHYPNYNVSY-UHFFFAOYSA-N

Compound name

4-(aminomethyl)pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 124.0749 Da
Monoisotopic Mass: -1.3
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]+	125.08218	123.3
[M+Na]+	147.06412	131.8
[M-H]-	123.06762	123.8
[M+NH4]+	142.10872	142.0
[M+K]+	163.03806	129.7
[M+H-H2O]+	107.07216	116.1
[M+HCOO]-	169.07310	147.4
[M+CH3COO]-	183.08875	174.1
[M+Na-2H]-	145.04957	131.7
[M]+	124.07435	119.7
[M]-	124.07545	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe