CID 97545951

156150-87-7

Structural Information

Molecular Formula
C19H35NO8
SMILES
CC(C)(C)C(=O)O[C@H]1CCN2[C@@H]1[C@@H]([C@H]([C@@H](C2)OCOC)OCOC)OCOC
InChI
InChI=1S/C19H35NO8/c1-19(2,3)18(21)28-13-7-8-20-9-14(25-10-22-4)16(26-11-23-5)17(15(13)20)27-12-24-6/h13-17H,7-12H2,1-6H3/t13-,14+,15-,16-,17-/m0/s1
InChIKey
PRMMQSQRTQZAPO-QEOTZNIISA-N
Compound name
[(1S,6R,7S,8S,8aS)-6,7,8-tris(methoxymethoxy)-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

405.23627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24355 195.3
[M+Na]+ 428.22549 198.4
[M-H]- 404.22899 196.8
[M+NH4]+ 423.27009 207.7
[M+K]+ 444.19943 199.7
[M+H-H2O]+ 388.23353 188.7
[M+HCOO]- 450.23447 208.9
[M+CH3COO]- 464.25012 223.4
[M+Na-2H]- 426.21094 194.0
[M]+ 405.23572 204.3
[M]- 405.23682 204.3
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.