CID 19823206

253136-30-0

Structural Information

Molecular Formula

C₁₅H₂₅NO₄

SMILES

CC(C)(C)OC(=O)N1C2CCCCC2CCC1C(=O)O

InChI

InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-11-7-5-4-6-10(11)8-9-12(16)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)

InChIKey

GHHISGFNVINWNL-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 283.17834 Da
Monoisotopic Mass: 2.9
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]+	284.185616	167.4
[M+Na]+	306.167558	170.3
[M-H]-	282.171064	167.5
[M+NH4]+	301.212163	182.1
[M+K]+	322.141498	168.9
[M+H-H2O]+	266.175600	161.2
[M+HCOO]-	328.176541	177.3
[M+CH3COO]-	342.192191	198.0
[M+Na-2H]-	304.153006	167.8
[M]+	283.17779142	163.0
[M]-	283.17888858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe