CID 10727458

Tert-butyl (3r,4r)-4-amino-3-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)O)N
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m1/s1
InChIKey
KREUZCYJWPQPJX-HTQZYQBOSA-N
Compound name
tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
Patents

216.1474 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 151.3
[M+Na]+ 239.13662 156.4
[M-H]- 215.14012 151.3
[M+NH4]+ 234.18122 167.7
[M+K]+ 255.11056 155.5
[M+H-H2O]+ 199.14466 145.5
[M+HCOO]- 261.14560 167.1
[M+CH3COO]- 275.16125 186.7
[M+Na-2H]- 237.12207 153.1
[M]+ 216.14685 147.2
[M]- 216.14795 147.2
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