CID 64146315

1408729-26-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₆S

SMILES

CC(C)(C)OC(=O)NC1(CCS(=O)(=O)C1)C(=O)O

InChI

InChI=1S/C10H17NO6S/c1-9(2,3)17-8(14)11-10(7(12)13)4-5-18(15,16)6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)

InChIKey

XSYVIWHKDHTLAH-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxothiolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 279.07767 Da
Monoisotopic Mass: -0.1
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]+	280.084946	157.3
[M+Na]+	302.066888	163.6
[M-H]-	278.070394	159.2
[M+NH4]+	297.111493	178.1
[M+K]+	318.040828	163.1
[M+H-H2O]+	262.074930	155.0
[M+HCOO]-	324.075871	171.8
[M+CH3COO]-	338.091521	191.0
[M+Na-2H]-	300.052336	160.7
[M]+	279.07712142	160.4
[M]-	279.07821858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe