CID 45285

Dioxamate

Structural Information

Molecular Formula

C₁₅H₂₉NO₄

SMILES

CCCCCCCCCC1(OCC(O1)COC(=O)N)C

InChI

InChI=1S/C15H29NO4/c1-3-4-5-6-7-8-9-10-15(2)19-12-13(20-15)11-18-14(16)17/h13H,3-12H2,1-2H3,(H2,16,17)

InChIKey

OWCAKKIRPJUQFO-UHFFFAOYSA-N

Compound name

(2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl carbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 127
Patents: 287.20966 Da
Monoisotopic Mass: 3.9
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]+	288.216936	172.4
[M+Na]+	310.198878	175.9
[M-H]-	286.202384	175.3
[M+NH4]+	305.243483	188.6
[M+K]+	326.172818	176.5
[M+H-H2O]+	270.206920	166.7
[M+HCOO]-	332.207861	191.2
[M+CH3COO]-	346.223511	202.8
[M+Na-2H]-	308.184326	174.0
[M]+	287.20911142	176.7
[M]-	287.21020858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe