CID 82417639

5-amino-3-cyclopropyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C7H8N4
SMILES
C1CC1C2=C(C(=NN2)N)C#N
InChI
InChI=1S/C7H8N4/c8-3-5-6(4-1-2-4)10-11-7(5)9/h4H,1-2H2,(H3,9,10,11)
InChIKey
NXJLXRLAWMGLCN-UHFFFAOYSA-N
Compound name
3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 128.7
[M+Na]+ 171.064108 144.5
[M-H]- 147.067614 133.0
[M+NH4]+ 166.108713 143.2
[M+K]+ 187.038048 137.1
[M+H-H2O]+ 131.072150 117.4
[M+HCOO]- 193.073091 149.2
[M+CH3COO]- 207.088741 141.7
[M+Na-2H]- 169.049556 134.7
[M]+ 148.07434142 124.6
[M]- 148.07543858 124.6
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