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]+ 197.128466 140.5
[M+Na]+ 219.110408 147.5
[M-H]- 195.113914 141.6
[M+NH4]+ 214.155013 156.5
[M+K]+ 235.084348 145.8
[M+H-H2O]+ 179.118450 127.3
[M+HCOO]- 241.119391 155.8
[M+CH3COO]- 255.135041 195.8
[M+Na-2H]- 217.095856 143.6
[M]+ 196.12064142 134.0
[M]- 196.12173858 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.