CID 33695292

105920-65-8

Structural Information

Molecular Formula
C13H19NO4
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCC(=O)O
InChI
InChI=1S/C13H19NO4/c15-10-8-13(5-1-2-6-13)9-11(16)14(10)7-3-4-12(17)18/h1-9H2,(H,17,18)
InChIKey
UKJFWUUALLRWGV-UHFFFAOYSA-N
Compound name
4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 158.0
[M+Na]+ 276.120628 163.1
[M-H]- 252.124134 160.0
[M+NH4]+ 271.165233 176.7
[M+K]+ 292.094568 160.5
[M+H-H2O]+ 236.128670 152.1
[M+HCOO]- 298.129611 173.7
[M+CH3COO]- 312.145261 189.7
[M+Na-2H]- 274.106076 158.2
[M]+ 253.13086142 153.8
[M]- 253.13195858 153.8
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.