CID 10868112

Tert-butyl n-[(4-hydroxypiperidin-4-yl)methyl]carbamate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)NCC1(CCNCC1)O
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-8-11(15)4-6-12-7-5-11/h12,15H,4-8H2,1-3H3,(H,13,14)
InChIKey
ZVUCOORWSKRJII-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-hydroxypiperidin-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

230.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 155.8
[M+Na]+ 253.152258 159.0
[M-H]- 229.155764 154.2
[M+NH4]+ 248.196863 172.6
[M+K]+ 269.126198 157.7
[M+H-H2O]+ 213.160300 150.5
[M+HCOO]- 275.161241 170.4
[M+CH3COO]- 289.176891 185.0
[M+Na-2H]- 251.137706 160.3
[M]+ 230.16249142 150.8
[M]- 230.16358858 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe