CID 23238428

156150-85-5

Structural Information

Molecular Formula
C18H31NO6
SMILES
CC(C)(C)C(=O)O[C@H]1CCN2[C@H]1[C@H]([C@@H]([C@H](C2)OC(=O)C(C)(C)C)O)O
InChI
InChI=1S/C18H31NO6/c1-17(2,3)15(22)24-10-7-8-19-9-11(13(20)14(21)12(10)19)25-16(23)18(4,5)6/h10-14,20-21H,7-9H2,1-6H3/t10-,11-,12+,13+,14+/m0/s1
InChIKey
HTVAMNMAGIQAQZ-ODXJTPSBSA-N
Compound name
[(1S,6S,7S,8R,8aS)-6-(2,2-dimethylpropanoyloxy)-7,8-dihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.21515 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22243 185.3
[M+Na]+ 380.20437 189.1
[M-H]- 356.20787 184.9
[M+NH4]+ 375.24897 198.8
[M+K]+ 396.17831 188.4
[M+H-H2O]+ 340.21241 181.2
[M+HCOO]- 402.21335 193.6
[M+CH3COO]- 416.22900 211.0
[M+Na-2H]- 378.18982 183.4
[M]+ 357.21460 185.5
[M]- 357.21570 185.5
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.