CID 155821108

2490406-74-9

Structural Information

Molecular Formula

C₁₄H₁₉NO₄S

SMILES

CC(C)(C)OC(=O)N1CCCC2=C1C(=CC=C2)S(=O)O

InChI

InChI=1S/C14H19NO4S/c1-14(2,3)19-13(16)15-9-5-7-10-6-4-8-11(12(10)15)20(17)18/h4,6,8H,5,7,9H2,1-3H3,(H,17,18)

InChIKey

GMBPGOPSKCNNLP-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-8-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.1035 Da
Monoisotopic Mass: 2.3
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]+	298.110776	166.2
[M+Na]+	320.092718	172.2
[M-H]-	296.096224	167.5
[M+NH4]+	315.137323	181.1
[M+K]+	336.066658	169.7
[M+H-H2O]+	280.100760	160.1
[M+HCOO]-	342.101701	175.8
[M+CH3COO]-	356.117351	197.5
[M+Na-2H]-	318.078166	167.8
[M]+	297.10295142	168.1
[M]-	297.10404858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.