CID 22248607

1-boc-4-cyano-4-(hydroxymethyl)piperidine

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CO)C#N
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h15H,4-7,9H2,1-3H3
InChIKey
BLZNRLWYSXQYLO-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

240.1474 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 155.8
[M+Na]+ 263.136618 163.1
[M-H]- 239.140124 156.2
[M+NH4]+ 258.181223 171.7
[M+K]+ 279.110558 161.1
[M+H-H2O]+ 223.144660 144.2
[M+HCOO]- 285.145601 168.0
[M+CH3COO]- 299.161251 199.4
[M+Na-2H]- 261.122066 159.2
[M]+ 240.14685142 149.3
[M]- 240.14794858 149.3
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