CID 107261876

N-(1h-pyrazol-3-yl)but-2-ynamide hydrochloride

Structural Information

Molecular Formula
C7H7N3O
SMILES
CC#CC(=O)NC1=CC=NN1
InChI
InChI=1S/C7H7N3O/c1-2-3-7(11)9-6-4-5-8-10-6/h4-5H,1H3,(H2,8,9,10,11)
InChIKey
FPSTYSUFVCMBSS-UHFFFAOYSA-N
Compound name
N-(1H-pyrazol-5-yl)but-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05891 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 133.9
[M+Na]+ 172.04813 143.3
[M+NH4]+ 167.09273 137.0
[M+K]+ 188.02207 137.2
[M-H]- 148.05163 125.4
[M+Na-2H]- 170.03358 135.5
[M]+ 149.05836 131.6
[M]- 149.05946 131.6
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.