CID 122240485

1-(but-2-yn-1-yl)-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC#CCN1C=C(C=N1)O
InChI
InChI=1S/C7H8N2O/c1-2-3-4-9-6-7(10)5-8-9/h5-6,10H,4H2,1H3
InChIKey
UWWAPHQVNKSPAM-UHFFFAOYSA-N
Compound name
1-but-2-ynylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 127.7
[M+Na]+ 159.05288 139.0
[M+NH4]+ 154.09748 131.7
[M+K]+ 175.02682 132.1
[M-H]- 135.05638 119.5
[M+Na-2H]- 157.03833 130.1
[M]+ 136.06311 126.0
[M]- 136.06421 126.0
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.