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

24
Patents

254.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 159.6
[M+Na]+ 277.152258 166.5
[M-H]- 253.155764 159.9
[M+NH4]+ 272.196863 175.0
[M+K]+ 293.126198 164.3
[M+H-H2O]+ 237.160300 147.9
[M+HCOO]- 299.161241 171.5
[M+CH3COO]- 313.176891 202.1
[M+Na-2H]- 275.137706 162.6
[M]+ 254.16249142 153.5
[M]- 254.16358858 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