CID 177787103

2-oxo-1-azaspiro[4.5]decane-8-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

C1CC2(CCC1C(=O)O)CCC(=O)N2

InChI

InChI=1S/C10H15NO3/c12-8-3-6-10(11-8)4-1-7(2-5-10)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)

InChIKey

PHDMAULUCKTISS-UHFFFAOYSA-N

Compound name

2-oxo-1-azaspiro[4.5]decane-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.112476	144.9
[M+Na]+	220.094418	149.9
[M-H]-	196.097924	145.8
[M+NH4]+	215.139023	165.1
[M+K]+	236.068358	147.1
[M+H-H2O]+	180.102460	139.5
[M+HCOO]-	242.103401	159.8
[M+CH3COO]-	256.119051	175.6
[M+Na-2H]-	218.079866	146.5
[M]+	197.10465142	136.7
[M]-	197.10574858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.