CID 2566

Carbofuran

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C

InChI

InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)

InChIKey

DUEPRVBVGDRKAG-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1115
References: 49845
Patents: 221.1052 Da
Monoisotopic Mass: 2.3
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]+	222.11248	147.4
[M+Na]+	244.09442	155.9
[M-H]-	220.09792	153.1
[M+NH4]+	239.13902	169.4
[M+K]+	260.06836	155.3
[M+H-H2O]+	204.10246	142.5
[M+HCOO]-	266.10340	170.1
[M+CH3COO]-	280.11905	189.6
[M+Na-2H]-	242.07987	153.8
[M]+	221.10465	150.3
[M]-	221.10575	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe