CID 19908792

3-(methylthio)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C4H7N3S
SMILES
CSC1=NNC(=C1)N
InChI
InChI=1S/C4H7N3S/c1-8-4-2-3(5)6-7-4/h2H,1H3,(H3,5,6,7)
InChIKey
NPBDQUSJACEGDI-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

129.03607 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 122.6
[M+Na]+ 152.025288 132.4
[M-H]- 128.028794 122.7
[M+NH4]+ 147.069893 143.6
[M+K]+ 167.999228 129.5
[M+H-H2O]+ 112.033330 116.6
[M+HCOO]- 174.034271 140.6
[M+CH3COO]- 188.049921 168.2
[M+Na-2H]- 150.010736 125.6
[M]+ 129.03552142 121.5
[M]- 129.03661858 121.5
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