CID 11160773

83863-71-2

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CCOC(=O)N1CC[C@H]([C@H](C1)OC)N
InChI
InChI=1S/C9H18N2O3/c1-3-14-9(12)11-5-4-7(10)8(6-11)13-2/h7-8H,3-6,10H2,1-2H3/t7-,8+/m1/s1
InChIKey
FIIGTSPAEONQHZ-SFYZADRCSA-N
Compound name
ethyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

202.13174 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.139016 146.2
[M+Na]+ 225.120958 151.6
[M-H]- 201.124464 147.4
[M+NH4]+ 220.165563 163.6
[M+K]+ 241.094898 151.3
[M+H-H2O]+ 185.129000 139.4
[M+HCOO]- 247.129941 165.4
[M+CH3COO]- 261.145591 186.4
[M+Na-2H]- 223.106406 148.1
[M]+ 202.13119142 144.2
[M]- 202.13228858 144.2
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