CID 28373998

2-(4-amino-1h-pyrazol-1-yl)-n-(cyanomethyl)acetamide

Structural Information

Molecular Formula
C7H9N5O
SMILES
C1=C(C=NN1CC(=O)NCC#N)N
InChI
InChI=1S/C7H9N5O/c8-1-2-10-7(13)5-12-4-6(9)3-11-12/h3-4H,2,5,9H2,(H,10,13)
InChIKey
BPFNSCTVHROGMK-UHFFFAOYSA-N
Compound name
2-(4-aminopyrazol-1-yl)-N-(cyanomethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0807 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 137.2
[M+Na]+ 202.06992 145.5
[M-H]- 178.07342 137.0
[M+NH4]+ 197.11452 153.1
[M+K]+ 218.04386 144.2
[M+H-H2O]+ 162.07796 122.2
[M+HCOO]- 224.07890 157.2
[M+CH3COO]- 238.09455 195.7
[M+Na-2H]- 200.05537 141.4
[M]+ 179.08015 130.5
[M]- 179.08125 130.5
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.