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]+ 231.17032 156.1
[M+Na]+ 253.15226 159.3
[M-H]- 229.15576 154.6
[M+NH4]+ 248.19686 171.1
[M+K]+ 269.12620 157.6
[M+H-H2O]+ 213.16030 150.0
[M+HCOO]- 275.16124 170.7
[M+CH3COO]- 289.17689 186.7
[M+Na-2H]- 251.13771 158.6
[M]+ 230.16249 151.1
[M]- 230.16359 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