CID 237031

2-(1h-pyrazol-1-yl)ethanol

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1=CN(N=C1)CCO
InChI
InChI=1S/C5H8N2O/c8-5-4-7-3-1-2-6-7/h1-3,8H,4-5H2
InChIKey
DXFBKDSQMUFYLD-UHFFFAOYSA-N
Compound name
2-pyrazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

652
Patents

112.06366 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 120.9
[M+Na]+ 135.05288 132.1
[M+NH4]+ 130.09748 128.8
[M+K]+ 151.02682 128.5
[M-H]- 111.05638 120.7
[M+Na-2H]- 133.03833 126.7
[M]+ 112.06311 122.1
[M]- 112.06421 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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