CID 6129

Carbaryl

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CNC(=O)OC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

InChIKey

CVXBEEMKQHEXEN-UHFFFAOYSA-N

Compound name

naphthalen-1-yl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1781
References: 58138
Patents: 201.07898 Da
Monoisotopic Mass: 2.4
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]+	202.08626	141.1
[M+Na]+	224.06820	148.9
[M-H]-	200.07170	145.9
[M+NH4]+	219.11280	161.2
[M+K]+	240.04214	146.4
[M+H-H2O]+	184.07624	134.7
[M+HCOO]-	246.07718	165.4
[M+CH3COO]-	260.09283	186.5
[M+Na-2H]-	222.05365	149.6
[M]+	201.07843	142.0
[M]-	201.07953	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe