CID 49759754

Tert-butyl (2s,4r)-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C[C@H]1CO)O
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-5-4-9(14)6-8(12)7-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey
VWVWYFVYZSIVFW-DTWKUNHWSA-N
Compound name
tert-butyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

231.14706 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 154.6
[M+Na]+ 254.136278 159.6
[M-H]- 230.139784 153.6
[M+NH4]+ 249.180883 170.2
[M+K]+ 270.110218 158.5
[M+H-H2O]+ 214.144320 149.1
[M+HCOO]- 276.145261 168.3
[M+CH3COO]- 290.160911 185.0
[M+Na-2H]- 252.121726 156.2
[M]+ 231.14651142 152.3
[M]- 231.14760858 152.3
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