CID 135398702

6-lactoyltetrahydropterin

Structural Information

Molecular Formula

C₉H₁₃N₅O₃

SMILES

CC(C(=O)C1CNC2=C(N1)C(=O)NC(=N2)N)O

InChI

InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)

InChIKey

HKCYZTKHPLJZDR-UHFFFAOYSA-N

Compound name

2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 28
Patents: 239.10184 Da
Monoisotopic Mass: -1.6
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]+	240.10912	154.9
[M+Na]+	262.09106	161.9
[M-H]-	238.09456	148.6
[M+NH4]+	257.13566	164.9
[M+K]+	278.06500	156.6
[M+H-H2O]+	222.09910	147.4
[M+HCOO]-	284.10004	164.5
[M+CH3COO]-	298.11569	186.5
[M+Na-2H]-	260.07651	157.5
[M]+	239.10129	146.9
[M]-	239.10239	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe