CID 28279236

4-(pyrrolidin-1-yl)piperidine-4-carbonitrile

Structural Information

Molecular Formula
C10H17N3
SMILES
C1CCN(C1)C2(CCNCC2)C#N
InChI
InChI=1S/C10H17N3/c11-9-10(3-5-12-6-4-10)13-7-1-2-8-13/h12H,1-8H2
InChIKey
IHNDAQMLHNFVDG-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.14224 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 139.5
[M+Na]+ 202.131458 146.0
[M-H]- 178.134964 140.0
[M+NH4]+ 197.176063 157.0
[M+K]+ 218.105398 141.0
[M+H-H2O]+ 162.139500 125.1
[M+HCOO]- 224.140441 151.8
[M+CH3COO]- 238.156091 148.8
[M+Na-2H]- 200.116906 142.7
[M]+ 179.14169142 126.1
[M]- 179.14278858 126.1
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

No patent data available for this compound.