CID 361482

Nsc624519

Structural Information

Molecular Formula
C13H19NO4
SMILES
COC(=O)CCC(=O)CC1CC(=O)C2N1CCC2
InChI
InChI=1S/C13H19NO4/c1-18-13(17)5-4-10(15)7-9-8-12(16)11-3-2-6-14(9)11/h9,11H,2-8H2,1H3
InChIKey
IZNMOJCCYVRCIZ-UHFFFAOYSA-N
Compound name
methyl 4-oxo-5-(1-oxo-2,3,5,6,7,8-hexahydropyrrolizin-3-yl)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 160.3
[M+Na]+ 276.12063 165.9
[M-H]- 252.12413 162.7
[M+NH4]+ 271.16523 180.3
[M+K]+ 292.09457 164.5
[M+H-H2O]+ 236.12867 154.6
[M+HCOO]- 298.12961 178.5
[M+CH3COO]- 312.14526 193.8
[M+Na-2H]- 274.10608 158.1
[M]+ 253.13086 161.2
[M]- 253.13196 161.2
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.