CID 28373973

2-(4-amino-1h-pyrazol-1-yl)acetonitrile

Structural Information

Molecular Formula
C5H6N4
SMILES
C1=C(C=NN1CC#N)N
InChI
InChI=1S/C5H6N4/c6-1-2-9-4-5(7)3-8-9/h3-4H,2,7H2
InChIKey
XMHXCZMZXXAHRY-UHFFFAOYSA-N
Compound name
2-(4-aminopyrazol-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

122.05925 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.066526 121.3
[M+Na]+ 145.048468 131.4
[M-H]- 121.051974 121.3
[M+NH4]+ 140.093073 139.8
[M+K]+ 161.022408 129.9
[M+H-H2O]+ 105.056510 107.1
[M+HCOO]- 167.057451 141.6
[M+CH3COO]- 181.073101 184.5
[M+Na-2H]- 143.033916 127.4
[M]+ 122.05870142 114.8
[M]- 122.05979858 114.8
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

patents stripe