CID 129222368

Tert-butyl (3r,5s)-3-amino-5-methoxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](C1)OC)N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(7-13)15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKey
VYOYBSJHTACSNI-BDAKNGLRSA-N
Compound name
tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

230.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 155.1
[M+Na]+ 253.152258 160.2
[M-H]- 229.155764 156.4
[M+NH4]+ 248.196863 171.7
[M+K]+ 269.126198 159.9
[M+H-H2O]+ 213.160300 148.8
[M+HCOO]- 275.161241 172.1
[M+CH3COO]- 289.176891 192.2
[M+Na-2H]- 251.137706 156.9
[M]+ 230.16249142 153.3
[M]- 230.16358858 153.3
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