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]+ 150.066186 132.2
[M+Na]+ 172.048128 141.1
[M-H]- 148.051634 130.0
[M+NH4]+ 167.092733 148.8
[M+K]+ 188.022068 138.0
[M+H-H2O]+ 132.056170 118.4
[M+HCOO]- 194.057111 148.4
[M+CH3COO]- 208.072761 181.0
[M+Na-2H]- 170.033576 136.4
[M]+ 149.05836142 124.2
[M]- 149.05945858 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.