CID 16228635

956440-32-7

Structural Information

Molecular Formula
C9H11N3OS
SMILES
C1=CSC(=C1)C2=NN(C(=C2)N)CCO
InChI
InChI=1S/C9H11N3OS/c10-9-6-7(8-2-1-5-14-8)11-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2
InChIKey
OCWMLINANTXCLK-UHFFFAOYSA-N
Compound name
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06229 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06957 142.2
[M+Na]+ 232.05151 153.1
[M-H]- 208.05501 146.4
[M+NH4]+ 227.09611 162.0
[M+K]+ 248.02545 149.2
[M+H-H2O]+ 192.05955 135.5
[M+HCOO]- 254.06049 162.9
[M+CH3COO]- 268.07614 155.9
[M+Na-2H]- 230.03696 143.2
[M]+ 209.06174 144.8
[M]- 209.06284 144.8
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.