CID 154779864

1903840-04-9

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N[C@H]1CCNC[C@@H]1CO
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-9-4-5-12-6-8(9)7-14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)/t8-,9+/m1/s1
InChIKey
APFRSUHBGMXPSZ-BDAKNGLRSA-N
Compound name
tert-butyl N-[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 156.1
[M+Na]+ 253.152258 159.3
[M-H]- 229.155764 154.6
[M+NH4]+ 248.196863 171.1
[M+K]+ 269.126198 157.6
[M+H-H2O]+ 213.160300 150.0
[M+HCOO]- 275.161241 170.7
[M+CH3COO]- 289.176891 186.7
[M+Na-2H]- 251.137706 158.6
[M]+ 230.16249142 151.1
[M]- 230.16358858 151.1
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