CID 243851

4,6-diaminopyrimidine-2-sulfinic acid

Structural Information

Molecular Formula

C₄H₆N₄O₂S

SMILES

C1=C(N=C(N=C1N)S(=O)O)N

InChI

InChI=1S/C4H6N4O2S/c5-2-1-3(6)8-4(7-2)11(9)10/h1H,(H,9,10)(H4,5,6,7,8)

InChIKey

VNUSATOXJILSOJ-UHFFFAOYSA-N

Compound name

4,6-diaminopyrimidine-2-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 174.02115 Da
Monoisotopic Mass: -1.0
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]+	175.02843	131.4
[M+Na]+	197.01037	140.9
[M+NH4]+	192.05497	137.7
[M+K]+	212.98431	136.4
[M-H]-	173.01387	131.6
[M+Na-2H]-	194.99582	135.5
[M]+	174.02060	132.8
[M]-	174.02170	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe