CID 54691174

7-hydroxy-6-butyl-1,2,3-trihydroindolizin-5-one

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCCCC1=C(C=C2CCCN2C1=O)O
InChI
InChI=1S/C12H17NO2/c1-2-3-6-10-11(14)8-9-5-4-7-13(9)12(10)15/h8,14H,2-7H2,1H3
InChIKey
DFGWQVYTZUWSEB-UHFFFAOYSA-N
Compound name
6-butyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.6
[M+Na]+ 230.11515 154.7
[M-H]- 206.11865 147.7
[M+NH4]+ 225.15975 166.1
[M+K]+ 246.08909 151.0
[M+H-H2O]+ 190.12319 139.7
[M+HCOO]- 252.12413 166.2
[M+CH3COO]- 266.13978 184.8
[M+Na-2H]- 228.10060 149.3
[M]+ 207.12538 146.7
[M]- 207.12648 146.7
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.