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]+ 147.02228 125.4
[M+Na]+ 169.00422 135.7
[M-H]- 145.00772 126.1
[M+NH4]+ 164.04882 146.1
[M+K]+ 184.97816 134.2
[M+H-H2O]+ 129.01226 119.7
[M+HCOO]- 191.01320 142.7
[M+CH3COO]- 205.02885 168.2
[M+Na-2H]- 166.98967 127.8
[M]+ 146.01445 127.6
[M]- 146.01555 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