CID 107261723

N-(1h-pyrazol-4-yl)but-2-ynamide hydrochloride

Structural Information

Molecular Formula
C7H7N3O
SMILES
CC#CC(=O)NC1=CNN=C1
InChI
InChI=1S/C7H7N3O/c1-2-3-7(11)10-6-4-8-9-5-6/h4-5H,1H3,(H,8,9)(H,10,11)
InChIKey
HIUSBNASCLBXMY-UHFFFAOYSA-N
Compound name
N-(1H-pyrazol-4-yl)but-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 132.2
[M+Na]+ 172.04813 141.1
[M-H]- 148.05163 130.0
[M+NH4]+ 167.09273 148.8
[M+K]+ 188.02207 138.0
[M+H-H2O]+ 132.05617 118.4
[M+HCOO]- 194.05711 148.4
[M+CH3COO]- 208.07276 181.0
[M+Na-2H]- 170.03358 136.4
[M]+ 149.05836 124.2
[M]- 149.05946 124.2
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.