CID 6151

Mebutamate

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₄

SMILES

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

InChI

InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)

InChIKey

LEROTMJVBFSIMP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 11
References: 2006
Patents: 232.1423 Da
Monoisotopic Mass: 1.4
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]+	233.149576	154.9
[M+Na]+	255.131518	159.0
[M-H]-	231.135024	153.8
[M+NH4]+	250.176123	171.5
[M+K]+	271.105458	159.7
[M+H-H2O]+	215.139560	149.1
[M+HCOO]-	277.140501	175.0
[M+CH3COO]-	291.156151	195.8
[M+Na-2H]-	253.116966	155.3
[M]+	232.14175142	155.7
[M]-	232.14284858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe