CID 19588

Fenobucarb

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCC(C)C1=CC=CC=C1OC(=O)NC

InChI

InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)

InChIKey

DIRFUJHNVNOBMY-UHFFFAOYSA-N

Compound name

(2-butan-2-ylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 66
References: 30371
Patents: 207.12593 Da
Monoisotopic Mass: 2.8
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]+	208.13321	147.9
[M+Na]+	230.11515	153.9
[M-H]-	206.11865	151.5
[M+NH4]+	225.15975	166.7
[M+K]+	246.08909	152.7
[M+H-H2O]+	190.12319	141.5
[M+HCOO]-	252.12413	171.2
[M+CH3COO]-	266.13978	189.9
[M+Na-2H]-	228.10060	151.5
[M]+	207.12538	149.3
[M]-	207.12648	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe