CID 212994

25450-97-9

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₄

SMILES

CCC(CC)C(CC)(COC(=O)N)COC(=O)N

InChI

InChI=1S/C12H24N2O4/c1-4-9(5-2)12(6-3,7-17-10(13)15)8-18-11(14)16/h9H,4-8H2,1-3H3,(H2,13,15)(H2,14,16)

InChIKey

FAAGKIFSYGSURO-UHFFFAOYSA-N

Compound name

[2-(carbamoyloxymethyl)-2,3-diethylpentyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.1736 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]+	261.180876	164.1
[M+Na]+	283.162818	167.3
[M-H]-	259.166324	162.6
[M+NH4]+	278.207423	179.6
[M+K]+	299.136758	167.6
[M+H-H2O]+	243.170860	157.9
[M+HCOO]-	305.171801	183.5
[M+CH3COO]-	319.187451	201.8
[M+Na-2H]-	281.148266	163.5
[M]+	260.17305142	165.6
[M]-	260.17414858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe