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[c]pyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

133.064 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 126.4
[M+Na]+ 156.05322 137.4
[M-H]- 132.05672 126.3
[M+NH4]+ 151.09782 146.9
[M+K]+ 172.02716 133.0
[M+H-H2O]+ 116.06126 112.9
[M+HCOO]- 178.06220 143.9
[M+CH3COO]- 192.07785 138.5
[M+Na-2H]- 154.03867 131.1
[M]+ 133.06345 119.1
[M]- 133.06455 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