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

134
Patents

122.05925 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06653 121.3
[M+Na]+ 145.04847 131.4
[M-H]- 121.05197 121.3
[M+NH4]+ 140.09307 139.8
[M+K]+ 161.02241 129.9
[M+H-H2O]+ 105.05651 107.1
[M+HCOO]- 167.05745 141.6
[M+CH3COO]- 181.07310 184.5
[M+Na-2H]- 143.03392 127.4
[M]+ 122.05870 114.8
[M]- 122.05980 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