CID 82599952

4-cyclopentylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C11H18N2
SMILES
C1CCC(C1)C2(CCNCC2)C#N
InChI
InChI=1S/C11H18N2/c12-9-11(5-7-13-8-6-11)10-3-1-2-4-10/h10,13H,1-8H2
InChIKey
YTFWVNMSZMEAFQ-UHFFFAOYSA-N
Compound name
4-cyclopentylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 142.0
[M+Na]+ 201.136218 148.6
[M-H]- 177.139724 144.0
[M+NH4]+ 196.180823 160.9
[M+K]+ 217.110158 142.8
[M+H-H2O]+ 161.144260 128.7
[M+HCOO]- 223.145201 155.3
[M+CH3COO]- 237.160851 151.7
[M+Na-2H]- 199.121666 144.7
[M]+ 178.14645142 128.6
[M]- 178.14754858 128.6
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