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]+ 180.087976 137.2
[M+Na]+ 202.069918 145.5
[M-H]- 178.073424 137.0
[M+NH4]+ 197.114523 153.1
[M+K]+ 218.043858 144.2
[M+H-H2O]+ 162.077960 122.2
[M+HCOO]- 224.078901 157.2
[M+CH3COO]- 238.094551 195.7
[M+Na-2H]- 200.055366 141.4
[M]+ 179.08015142 130.5
[M]- 179.08124858 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.