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

0
Patents

148.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 128.7
[M+Na]+ 171.06411 144.5
[M-H]- 147.06761 133.0
[M+NH4]+ 166.10871 143.2
[M+K]+ 187.03805 137.1
[M+H-H2O]+ 131.07215 117.4
[M+HCOO]- 193.07309 149.2
[M+CH3COO]- 207.08874 141.7
[M+Na-2H]- 169.04956 134.7
[M]+ 148.07434 124.6
[M]- 148.07544 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