CID 121604182

1983309-33-6

Structural Information

Molecular Formula

C₁₄H₂₃NO₄

SMILES

CC(C)(C)OC(=O)N1CC(CC2(C1)CCC2)C(=O)O

InChI

InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-10(11(16)17)7-14(9-15)5-4-6-14/h10H,4-9H2,1-3H3,(H,16,17)

InChIKey

LRKYQSDZSDKPPC-UHFFFAOYSA-N

Compound name

6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 269.16272 Da
Monoisotopic Mass: 1.9
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]+	270.169996	164.0
[M+Na]+	292.151938	166.6
[M-H]-	268.155444	165.8
[M+NH4]+	287.196543	174.0
[M+K]+	308.125878	169.0
[M+H-H2O]+	252.159980	153.5
[M+HCOO]-	314.160921	175.6
[M+CH3COO]-	328.176571	196.4
[M+Na-2H]-	290.137386	165.4
[M]+	269.16217142	169.7
[M]-	269.16326858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe