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]+ 137.070936 125.4
[M+Na]+ 159.052878 136.1
[M-H]- 135.056384 123.5
[M+NH4]+ 154.097483 143.3
[M+K]+ 175.026818 133.0
[M+H-H2O]+ 119.060920 112.3
[M+HCOO]- 181.061861 141.6
[M+CH3COO]- 195.077511 178.4
[M+Na-2H]- 157.038326 130.1
[M]+ 136.06311142 119.9
[M]- 136.06420858 119.9
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.