CID 132398526

2172482-77-6

Structural Information

Molecular Formula
C7H12N2O2S
SMILES
CC(C)(C)N1C=C(C=N1)S(=O)O
InChI
InChI=1S/C7H12N2O2S/c1-7(2,3)9-5-6(4-8-9)12(10)11/h4-5H,1-3H3,(H,10,11)
InChIKey
VWGIXMXHPBTSEB-UHFFFAOYSA-N
Compound name
1-tert-butylpyrazole-4-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06195 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06923 140.2
[M+Na]+ 211.05117 149.6
[M-H]- 187.05467 140.8
[M+NH4]+ 206.09577 159.4
[M+K]+ 227.02511 147.8
[M+H-H2O]+ 171.05921 134.6
[M+HCOO]- 233.06015 155.0
[M+CH3COO]- 247.07580 176.8
[M+Na-2H]- 209.03662 141.9
[M]+ 188.06140 142.9
[M]- 188.06250 142.9
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

No patent data available for this compound.