CID 34810

Fenethacarb

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCC1=CC(=CC(=C1)OC(=O)NC)CC

InChI

InChI=1S/C12H17NO2/c1-4-9-6-10(5-2)8-11(7-9)15-12(14)13-3/h6-8H,4-5H2,1-3H3,(H,13,14)

InChIKey

HUNDISMVCBSIKO-UHFFFAOYSA-N

Compound name

(3,5-diethylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4843
Patents: 207.12593 Da
Monoisotopic Mass: 3.1
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]+	208.133206	147.0
[M+Na]+	230.115148	154.3
[M-H]-	206.118654	150.9
[M+NH4]+	225.159753	166.2
[M+K]+	246.089088	152.6
[M+H-H2O]+	190.123190	140.8
[M+HCOO]-	252.124131	171.3
[M+CH3COO]-	266.139781	190.2
[M+Na-2H]-	228.100596	151.2
[M]+	207.12538142	149.4
[M]-	207.12647858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe