CID 60064207

Tert-butyl 4-cyano-4-(2-hydroxyethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CCO)C#N
InChI
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-7-4-13(10-14,5-8-15)6-9-16/h16H,4-9H2,1-3H3
InChIKey
VZWZPSMKXRKYMN-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-4-(2-hydroxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

254.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 159.6
[M+Na]+ 277.15226 166.5
[M-H]- 253.15576 159.9
[M+NH4]+ 272.19686 175.0
[M+K]+ 293.12620 164.3
[M+H-H2O]+ 237.16030 147.9
[M+HCOO]- 299.16124 171.5
[M+CH3COO]- 313.17689 202.1
[M+Na-2H]- 275.13771 162.6
[M]+ 254.16249 153.5
[M]- 254.16359 153.5
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