CID 24707505

Methyl 1-(2-cyanoethyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C10H16N2O2
SMILES
COC(=O)C1CCN(CC1)CCC#N
InChI
InChI=1S/C10H16N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-4,6-8H2,1H3
InChIKey
OFAZMLKXFXBXJC-UHFFFAOYSA-N
Compound name
methyl 1-(2-cyanoethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 140.5
[M+Na]+ 219.11041 147.5
[M-H]- 195.11391 141.6
[M+NH4]+ 214.15501 156.5
[M+K]+ 235.08435 145.8
[M+H-H2O]+ 179.11845 127.3
[M+HCOO]- 241.11939 155.8
[M+CH3COO]- 255.13504 195.8
[M+Na-2H]- 217.09586 143.6
[M]+ 196.12064 134.0
[M]- 196.12174 134.0
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.