CID 14322

Metolcarb

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=CC(=CC=C1)OC(=O)NC

InChI

InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)

InChIKey

VOEYXMAFNDNNED-UHFFFAOYSA-N

Compound name

(3-methylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 33
References: 29477
Patents: 165.07898 Da
Monoisotopic Mass: 1.7
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]+	166.08626	133.5
[M+Na]+	188.06820	141.1
[M-H]-	164.07170	137.6
[M+NH4]+	183.11280	154.1
[M+K]+	204.04214	140.1
[M+H-H2O]+	148.07624	127.6
[M+HCOO]-	210.07718	158.8
[M+CH3COO]-	224.09283	179.9
[M+Na-2H]-	186.05365	140.1
[M]+	165.07843	134.4
[M]-	165.07953	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe