CID 97013

Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C11H18N2
SMILES
C1CCC(CC1)(C#N)N2CCCC2
InChI
InChI=1S/C11H18N2/c12-10-11(6-2-1-3-7-11)13-8-4-5-9-13/h1-9H2
InChIKey
BFONNRLSLNCPJF-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

178.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 140.4
[M+Na]+ 201.13622 147.4
[M-H]- 177.13972 143.7
[M+NH4]+ 196.18082 160.0
[M+K]+ 217.11016 142.4
[M+H-H2O]+ 161.14426 126.9
[M+HCOO]- 223.14520 155.2
[M+CH3COO]- 237.16085 150.8
[M+Na-2H]- 199.12167 143.7
[M]+ 178.14645 128.7
[M]- 178.14755 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe