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]+ 218.138686 152.5
[M+Na]+ 240.120628 156.7
[M-H]- 216.124134 153.0
[M+NH4]+ 235.165233 160.3
[M+K]+ 256.094568 157.1
[M+H-H2O]+ 200.128670 149.3
[M+HCOO]- 262.129611 160.2
[M+CH3COO]- 276.145261 223.3
[M+Na-2H]- 238.106076 150.7
[M]+ 217.13086142 150.3
[M]- 217.13195858 150.3
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

No patent data available for this compound.