CID 167728916

Tert-butyl 2-[(1-cyanopiperidin-4-yl)oxy]acetate

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)COC1CCN(CC1)C#N
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(15)8-16-10-4-6-14(9-13)7-5-10/h10H,4-8H2,1-3H3
InChIKey
RURLTEVTOVJMKO-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1-cyanopiperidin-4-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 155.8
[M+Na]+ 263.13662 164.0
[M+NH4]+ 258.18122 158.5
[M+K]+ 279.11056 157.0
[M-H]- 239.14012 147.8
[M+Na-2H]- 261.12207 156.1
[M]+ 240.14685 153.6
[M]- 240.14795 153.6
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.