CID 21149598

84100-53-8

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CCOC(=O)N1CC[C@H]([C@H](C1)O)N
InChI
InChI=1S/C8H16N2O3/c1-2-13-8(12)10-4-3-6(9)7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKey
TVTJWRDQBQQKIX-RQJHMYQMSA-N
Compound name
ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

188.11609 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 142.4
[M+Na]+ 211.105308 147.8
[M-H]- 187.108814 142.4
[M+NH4]+ 206.149913 159.7
[M+K]+ 227.079248 146.8
[M+H-H2O]+ 171.113350 136.0
[M+HCOO]- 233.114291 160.4
[M+CH3COO]- 247.129941 180.9
[M+Na-2H]- 209.090756 144.3
[M]+ 188.11554142 138.1
[M]- 188.11663858 138.1
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