CID 88363

Slaframine

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(=O)O[C@H]1CCN2[C@H]1CC[C@@H](C2)N
InChI
InChI=1S/C10H18N2O2/c1-7(13)14-10-4-5-12-6-8(11)2-3-9(10)12/h8-10H,2-6,11H2,1H3/t8-,9-,10-/m0/s1
InChIKey
YYIUHLPAZILPSG-GUBZILKMSA-N
Compound name
[(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

76
Patents

198.13683 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 145.4
[M+Na]+ 221.12605 150.5
[M-H]- 197.12955 147.2
[M+NH4]+ 216.17065 165.6
[M+K]+ 237.09999 149.0
[M+H-H2O]+ 181.13409 139.1
[M+HCOO]- 243.13503 163.1
[M+CH3COO]- 257.15068 185.8
[M+Na-2H]- 219.11150 146.5
[M]+ 198.13628 140.4
[M]- 198.13738 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe