CID 2314

Bendiocarb

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C

InChI

InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)

InChIKey

XEGGRYVFLWGFHI-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 302
References: 29777
Patents: 223.08446 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]+	224.09174	146.7
[M+Na]+	246.07368	157.4
[M+NH4]+	241.11828	155.5
[M+K]+	262.04762	153.4
[M-H]-	222.07718	150.5
[M+Na-2H]-	244.05913	151.2
[M]+	223.08391	149.3
[M]-	223.08501	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe