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

10
Patents

174.02115 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.028426 131.3
[M+Na]+ 197.010368 140.5
[M-H]- 173.013874 131.0
[M+NH4]+ 192.054973 147.8
[M+K]+ 212.984308 137.2
[M+H-H2O]+ 157.018410 124.5
[M+HCOO]- 219.019351 148.3
[M+CH3COO]- 233.035001 178.3
[M+Na-2H]- 194.995816 134.5
[M]+ 174.02060142 129.3
[M]- 174.02169858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe