CID 135476778

70110-58-6

Structural Information

Molecular Formula

C₉H₁₅N₅O₄

SMILES

CC(C(C1CN=C2C(N1)(C(=O)NC(=N2)N)O)O)O

InChI

InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)

InChIKey

KJKIEFUPAPPGBC-UHFFFAOYSA-N

Compound name

2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-3,5,6,7-tetrahydropteridin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 102
Patents: 257.1124 Da
Monoisotopic Mass: -3.7
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]+	258.11968	156.5
[M+Na]+	280.10162	162.9
[M+NH4]+	275.14622	160.5
[M+K]+	296.07556	160.9
[M-H]-	256.10512	152.0
[M+Na-2H]-	278.08707	156.6
[M]+	257.11185	155.4
[M]-	257.11295	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe