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
8
Annotation Hits

302
References

31744
Patents

223.08446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 146.1
[M+Na]+ 246.07368 155.0
[M-H]- 222.07718 152.6
[M+NH4]+ 241.11828 166.7
[M+K]+ 262.04762 156.2
[M+H-H2O]+ 206.08172 141.5
[M+HCOO]- 268.08266 168.4
[M+CH3COO]- 282.09831 189.0
[M+Na-2H]- 244.05913 154.0
[M]+ 223.08391 150.8
[M]- 223.08501 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe