CID 55252656

8-methyl-5,6,7,8-tetrahydropteridine

Structural Information

Molecular Formula

C₇H₁₀N₄

SMILES

CN1CCNC2=CN=CN=C21

InChI

InChI=1S/C7H10N4/c1-11-3-2-9-6-4-8-5-10-7(6)11/h4-5,9H,2-3H2,1H3

InChIKey

HRUVCODCUGRMSS-UHFFFAOYSA-N

Compound name

8-methyl-6,7-dihydro-5H-pteridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 150.09055 Da
Monoisotopic Mass: 0.4
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]+	151.097826	133.1
[M+Na]+	173.079768	141.5
[M-H]-	149.083274	130.4
[M+NH4]+	168.124373	149.2
[M+K]+	189.053708	137.9
[M+H-H2O]+	133.087810	124.5
[M+HCOO]-	195.088751	148.4
[M+CH3COO]-	209.104401	144.4
[M+Na-2H]-	171.065216	142.2
[M]+	150.09000142	128.8
[M]-	150.09109858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe