CID 25067313

Tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC#N)O
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(15)14-8-5-12(16,4-7-13)6-9-14/h16H,4-6,8-9H2,1-3H3
InChIKey
WQWMUDUIUQIEII-UHFFFAOYSA-N
Compound name
tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

240.1474 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 154.0
[M+Na]+ 263.13662 161.8
[M+NH4]+ 258.18122 157.6
[M+K]+ 279.11056 153.7
[M-H]- 239.14012 145.5
[M+Na-2H]- 261.12207 155.3
[M]+ 240.14685 151.7
[M]- 240.14795 151.7
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