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]+ 254.138686 160.3
[M+Na]+ 276.120628 165.9
[M-H]- 252.124134 162.7
[M+NH4]+ 271.165233 180.3
[M+K]+ 292.094568 164.5
[M+H-H2O]+ 236.128670 154.6
[M+HCOO]- 298.129611 178.5
[M+CH3COO]- 312.145261 193.8
[M+Na-2H]- 274.106076 158.1
[M]+ 253.13086142 161.2
[M]- 253.13195858 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.