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]+ 210.069566 142.2
[M+Na]+ 232.051508 153.1
[M-H]- 208.055014 146.4
[M+NH4]+ 227.096113 162.0
[M+K]+ 248.025448 149.2
[M+H-H2O]+ 192.059550 135.5
[M+HCOO]- 254.060491 162.9
[M+CH3COO]- 268.076141 155.9
[M+Na-2H]- 230.036956 143.2
[M]+ 209.06174142 144.8
[M]- 209.06283858 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.