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 152.5
[M+Na]+ 240.12063 156.7
[M-H]- 216.12413 153.0
[M+NH4]+ 235.16523 160.3
[M+K]+ 256.09457 157.1
[M+H-H2O]+ 200.12867 149.3
[M+HCOO]- 262.12961 160.2
[M+CH3COO]- 276.14526 223.3
[M+Na-2H]- 238.10608 150.7
[M]+ 217.13086 150.3
[M]- 217.13196 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.