CID 84659250

1-(thian-4-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C8H13N3S
SMILES
C1CSCCC1N2C=CC(=N2)N
InChI
InChI=1S/C8H13N3S/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10)
InChIKey
LHGYKPZLUPKCKU-UHFFFAOYSA-N
Compound name
1-(thian-4-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08302 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.090296 137.7
[M+Na]+ 206.072238 144.7
[M-H]- 182.075744 141.2
[M+NH4]+ 201.116843 156.8
[M+K]+ 222.046178 141.7
[M+H-H2O]+ 166.080280 130.3
[M+HCOO]- 228.081221 153.5
[M+CH3COO]- 242.096871 149.8
[M+Na-2H]- 204.057686 138.9
[M]+ 183.08247142 133.5
[M]- 183.08356858 133.5
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

No patent data available for this compound.