CID 17982942

1-(1h-pyrazol-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC(C1=CC=NN1)O
InChI
InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7)
InChIKey
CABHXTNYNGUYFF-UHFFFAOYSA-N
Compound name
1-(1H-pyrazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

112.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 121.5
[M+Na]+ 135.05288 131.8
[M+NH4]+ 130.09748 129.0
[M+K]+ 151.02682 129.4
[M-H]- 111.05638 120.6
[M+Na-2H]- 133.03833 126.4
[M]+ 112.06311 122.4
[M]- 112.06421 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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