CID 23135139

1h,4h,5h,6h-cyclopenta[c]pyrazole-3-carbonitrile

Structural Information

Molecular Formula
C7H7N3
SMILES
C1CC2=C(C1)NN=C2C#N
InChI
InChI=1S/C7H7N3/c8-4-7-5-2-1-3-6(5)9-10-7/h1-3H2,(H,9,10)
InChIKey
OEYYFSWAMQIPCS-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

133.064 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.071276 126.4
[M+Na]+ 156.053218 137.4
[M-H]- 132.056724 126.3
[M+NH4]+ 151.097823 146.9
[M+K]+ 172.027158 133.0
[M+H-H2O]+ 116.061260 112.9
[M+HCOO]- 178.062201 143.9
[M+CH3COO]- 192.077851 138.5
[M+Na-2H]- 154.038666 131.1
[M]+ 133.06345142 119.1
[M]- 133.06454858 119.1
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