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]+ 254.13869 158.0
[M+Na]+ 276.12063 163.1
[M-H]- 252.12413 160.0
[M+NH4]+ 271.16523 176.7
[M+K]+ 292.09457 160.5
[M+H-H2O]+ 236.12867 152.1
[M+HCOO]- 298.12961 173.7
[M+CH3COO]- 312.14526 189.7
[M+Na-2H]- 274.10608 158.2
[M]+ 253.13086 153.8
[M]- 253.13196 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.