CID 135443397

6-methyltetrahydropterin

Structural Information

Molecular Formula

C₇H₁₁N₅O

SMILES

CC1CNC2=C(N1)C(=O)NC(=N2)N

InChI

InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)

InChIKey

HWOZEJJVUCALGB-UHFFFAOYSA-N

Compound name

2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 54
References: 370
Patents: 181.09636 Da
Monoisotopic Mass: -0.7
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]+	182.103636	142.1
[M+Na]+	204.085578	151.1
[M-H]-	180.089084	137.2
[M+NH4]+	199.130183	155.5
[M+K]+	220.059518	145.2
[M+H-H2O]+	164.093620	134.5
[M+HCOO]-	226.094561	155.3
[M+CH3COO]-	240.110211	151.9
[M+Na-2H]-	202.071026	148.2
[M]+	181.09581142	134.2
[M]-	181.09690858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe