CID 25429

Carbendazim

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

COC(=O)NC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)

InChIKey

TWFZGCMQGLPBSX-UHFFFAOYSA-N

Compound name

methyl N-(1H-benzimidazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1211
References: 96513
Patents: 191.06947 Da
Monoisotopic Mass: 1.5
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]+	192.076746	137.5
[M+Na]+	214.058688	147.0
[M-H]-	190.062194	138.9
[M+NH4]+	209.103293	156.5
[M+K]+	230.032628	144.1
[M+H-H2O]+	174.066730	130.4
[M+HCOO]-	236.067671	160.8
[M+CH3COO]-	250.083321	180.0
[M+Na-2H]-	212.044136	145.5
[M]+	191.06892142	138.7
[M]-	191.07001858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe