CID 70311363

Sodium 1-methyl-1h-pyrazole-3-sulfinate

Structural Information

Molecular Formula
C4H6N2O2S
SMILES
CN1C=CC(=N1)S(=O)O
InChI
InChI=1S/C4H6N2O2S/c1-6-3-2-4(5-6)9(7)8/h2-3H,1H3,(H,7,8)
InChIKey
OQDPDCJFZFBDGU-UHFFFAOYSA-N
Compound name
1-methylpyrazole-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

146.015 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.022276 125.4
[M+Na]+ 169.004218 135.7
[M-H]- 145.007724 126.1
[M+NH4]+ 164.048823 146.1
[M+K]+ 184.978158 134.2
[M+H-H2O]+ 129.012260 119.7
[M+HCOO]- 191.013201 142.7
[M+CH3COO]- 205.028851 168.2
[M+Na-2H]- 166.989666 127.8
[M]+ 146.01445142 127.6
[M]- 146.01554858 127.6
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