CID 155970994

2639408-05-0

Structural Information

Molecular Formula
C10H19NO4
SMILES
COC(=O)C1CCC(C(CCC1N)O)O
InChI
InChI=1S/C10H19NO4/c1-15-10(14)6-2-4-8(12)9(13)5-3-7(6)11/h6-9,12-13H,2-5,11H2,1H3
InChIKey
UXEBQNVSYTYTRH-UHFFFAOYSA-N
Compound name
methyl 2-amino-5,6-dihydroxycyclooctane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13141 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 148.5
[M+Na]+ 240.12063 150.8
[M+NH4]+ 235.16523 150.5
[M+K]+ 256.09457 151.1
[M-H]- 216.12413 148.4
[M+Na-2H]- 238.10608 150.1
[M]+ 217.13086 148.6
[M]- 217.13196 148.6
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

No patent data available for this compound.