CID 71748833

3424-34-8

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₅

SMILES

CC(C)NC(=O)OCC(C)(CC(C)O)COC(=O)N

InChI

InChI=1S/C12H24N2O5/c1-8(2)14-11(17)19-7-12(4,5-9(3)15)6-18-10(13)16/h8-9,15H,5-7H2,1-4H3,(H2,13,16)(H,14,17)

InChIKey

NDWLQBKONOLZFQ-UHFFFAOYSA-N

Compound name

[2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.16852 Da
Monoisotopic Mass: 0.8
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]+	277.175796	166.5
[M+Na]+	299.157738	169.1
[M-H]-	275.161244	164.2
[M+NH4]+	294.202343	180.9
[M+K]+	315.131678	170.1
[M+H-H2O]+	259.165780	160.5
[M+HCOO]-	321.166721	184.4
[M+CH3COO]-	335.182371	202.4
[M+Na-2H]-	297.143186	165.5
[M]+	276.16797142	167.9
[M]-	276.16906858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe