CID 165430162

156205-88-8

Structural Information

Molecular Formula
C18H30N2O6
SMILES
CCN(CC)[C@@H]1[C@H]([C@@H]([C@@H]2N1C(C[C@@H]2OC(=O)C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H30N2O6/c1-7-19(8-2)18-17(26-13(6)23)16(25-12(5)22)15-14(24-11(4)21)9-10(3)20(15)18/h10,14-18H,7-9H2,1-6H3/t10?,14-,15+,16+,17-,18-/m0/s1
InChIKey
HZAINNKOKMOIMP-YABRYVHUSA-N
Compound name
[(1S,5S,6R,7R,8R)-6,7-diacetyloxy-5-(diethylamino)-3-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2104 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21768 187.9
[M+Na]+ 393.19962 192.6
[M-H]- 369.20312 192.1
[M+NH4]+ 388.24422 204.2
[M+K]+ 409.17356 193.5
[M+H-H2O]+ 353.20766 182.5
[M+HCOO]- 415.20860 205.3
[M+CH3COO]- 429.22425 224.7
[M+Na-2H]- 391.18507 181.2
[M]+ 370.20985 194.4
[M]- 370.21095 194.4
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.