CID 19978366

N-(1,7,8-trihydroxyoctahydroindolizin-6-yl)acetamide

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(=O)NC1CN2CCC(C2C(C1O)O)O
InChI
InChI=1S/C10H18N2O4/c1-5(13)11-6-4-12-3-2-7(14)8(12)10(16)9(6)15/h6-10,14-16H,2-4H2,1H3,(H,11,13)
InChIKey
IHKWXDCSAKJQKM-UHFFFAOYSA-N
Compound name
N-(1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.12666 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.133936 151.1
[M+Na]+ 253.115878 156.5
[M-H]- 229.119384 149.9
[M+NH4]+ 248.160483 168.5
[M+K]+ 269.089818 154.0
[M+H-H2O]+ 213.123920 145.9
[M+HCOO]- 275.124861 165.1
[M+CH3COO]- 289.140511 186.4
[M+Na-2H]- 251.101326 150.9
[M]+ 230.12611142 145.3
[M]- 230.12720858 145.3
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

patents stripe