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]+ 183.11281 139.2
[M+Na]+ 205.09475 146.6
[M-H]- 181.09825 139.4
[M+NH4]+ 200.13935 156.8
[M+K]+ 221.06869 143.9
[M+H-H2O]+ 165.10279 127.2
[M+HCOO]- 227.10373 153.5
[M+CH3COO]- 241.11938 189.3
[M+Na-2H]- 203.08020 143.9
[M]+ 182.10498 130.7
[M]- 182.10608 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