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

17
Patents

174.02115 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02843 131.3
[M+Na]+ 197.01037 140.5
[M-H]- 173.01387 131.0
[M+NH4]+ 192.05497 147.8
[M+K]+ 212.98431 137.2
[M+H-H2O]+ 157.01841 124.5
[M+HCOO]- 219.01935 148.3
[M+CH3COO]- 233.03500 178.3
[M+Na-2H]- 194.99582 134.5
[M]+ 174.02060 129.3
[M]- 174.02170 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