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]+ 231.13394 151.1
[M+Na]+ 253.11588 156.5
[M-H]- 229.11938 149.9
[M+NH4]+ 248.16048 168.5
[M+K]+ 269.08982 154.0
[M+H-H2O]+ 213.12392 145.9
[M+HCOO]- 275.12486 165.1
[M+CH3COO]- 289.14051 186.4
[M+Na-2H]- 251.10133 150.9
[M]+ 230.12611 145.3
[M]- 230.12721 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