CID 25197569

2420-13-5

Structural Information

Molecular Formula

C₁₀H₁₅NO₅

SMILES

CC(C)(C)OC(=O)N[C@H]1CCC(=O)OC1=O

InChI

InChI=1S/C10H15NO5/c1-10(2,3)16-9(14)11-6-4-5-7(12)15-8(6)13/h6H,4-5H2,1-3H3,(H,11,14)/t6-/m0/s1

InChIKey

XPWLCDJCIMBIBS-LURJTMIESA-N

Compound name

tert-butyl N-[(3S)-2,6-dioxooxan-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.09502 Da
Monoisotopic Mass: 0.7
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]+	230.10230	147.6
[M+Na]+	252.08424	153.6
[M-H]-	228.08774	151.7
[M+NH4]+	247.12884	164.2
[M+K]+	268.05818	154.8
[M+H-H2O]+	212.09228	142.2
[M+HCOO]-	274.09322	166.8
[M+CH3COO]-	288.10887	189.9
[M+Na-2H]-	250.06969	152.4
[M]+	229.09447	148.1
[M]-	229.09557	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe