CID 58437112

4-(isopropylthio)-1h-pyrazole

Structural Information

Molecular Formula
C6H10N2S
SMILES
CC(C)SC1=CNN=C1
InChI
InChI=1S/C6H10N2S/c1-5(2)9-6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)
InChIKey
AOUDLJSGJVYGBF-UHFFFAOYSA-N
Compound name
4-propan-2-ylsulfanyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

142.05647 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06375 128.3
[M+Na]+ 165.04569 137.0
[M-H]- 141.04919 128.4
[M+NH4]+ 160.09029 149.1
[M+K]+ 181.01963 134.8
[M+H-H2O]+ 125.05373 122.2
[M+HCOO]- 187.05467 144.3
[M+CH3COO]- 201.07032 169.9
[M+Na-2H]- 163.03114 130.3
[M]+ 142.05592 128.7
[M]- 142.05702 128.7
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