CID 907652

Pteridin-2-amine

Structural Information

Molecular Formula

C₆H₅N₅

SMILES

C1=CN=C2C(=N1)C=NC(=N2)N

InChI

InChI=1S/C6H5N5/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H,(H2,7,9,10,11)

InChIKey

HYCZDWGCJOEHBO-UHFFFAOYSA-N

Compound name

pteridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 147.05449 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]+	148.06177	128.3
[M+Na]+	170.04371	138.9
[M-H]-	146.04721	127.4
[M+NH4]+	165.08831	144.8
[M+K]+	186.01765	135.4
[M+H-H2O]+	130.05175	119.6
[M+HCOO]-	192.05269	148.8
[M+CH3COO]-	206.06834	141.2
[M+Na-2H]-	168.02916	140.3
[M]+	147.05394	126.7
[M]-	147.05504	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe