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

19
Patents

231.14706 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 154.6
[M+Na]+ 254.13628 159.6
[M-H]- 230.13978 153.6
[M+NH4]+ 249.18088 170.2
[M+K]+ 270.11022 158.5
[M+H-H2O]+ 214.14432 149.1
[M+HCOO]- 276.14526 168.3
[M+CH3COO]- 290.16091 185.0
[M+Na-2H]- 252.12173 156.2
[M]+ 231.14651 152.3
[M]- 231.14761 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