CID 14294359

Ethyl 4-cyanopiperidine-4-carboxylate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CCOC(=O)C1(CCNCC1)C#N
InChI
InChI=1S/C9H14N2O2/c1-2-13-8(12)9(7-10)3-5-11-6-4-9/h11H,2-6H2,1H3
InChIKey
UDRJSTYKNNFPAL-UHFFFAOYSA-N
Compound name
ethyl 4-cyanopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.10553 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 139.2
[M+Na]+ 205.094748 146.6
[M-H]- 181.098254 139.4
[M+NH4]+ 200.139353 156.8
[M+K]+ 221.068688 143.9
[M+H-H2O]+ 165.102790 127.2
[M+HCOO]- 227.103731 153.5
[M+CH3COO]- 241.119381 189.3
[M+Na-2H]- 203.080196 143.9
[M]+ 182.10498142 130.7
[M]- 182.10607858 130.7
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