CID 73856

Ebubamate

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄

SMILES

CCCCC(CC)(COC(=O)N)COC(=O)N

InChI

InChI=1S/C11H22N2O4/c1-3-5-6-11(4-2,7-16-9(12)14)8-17-10(13)15/h3-8H2,1-2H3,(H2,12,14)(H2,13,15)

InChIKey

OAUQNCDVPLLEAH-UHFFFAOYSA-N

Compound name

[2-(carbamoyloxymethyl)-2-ethylhexyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 246.15796 Da
Monoisotopic Mass: 1.8
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]+	247.165236	159.2
[M+Na]+	269.147178	163.1
[M-H]-	245.150684	157.8
[M+NH4]+	264.191783	175.4
[M+K]+	285.121118	163.0
[M+H-H2O]+	229.155220	153.1
[M+HCOO]-	291.156161	180.0
[M+CH3COO]-	305.171811	197.9
[M+Na-2H]-	267.132626	160.4
[M]+	246.15741142	161.0
[M]-	246.15850858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe