CID 4532744

6890-20-6

Structural Information

Molecular Formula
C16H15NO4
SMILES
CC1=CC=CC=C1NC(=O)OCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H15NO4/c1-11-4-2-3-5-13(11)17-16(18)19-9-12-6-7-14-15(8-12)21-10-20-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKey
DONBVWRJBNOMDI-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-ylmethyl N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 163.9
[M+Na]+ 308.08932 171.0
[M-H]- 284.09282 172.9
[M+NH4]+ 303.13392 179.3
[M+K]+ 324.06326 170.4
[M+H-H2O]+ 268.09736 156.8
[M+HCOO]- 330.09830 185.9
[M+CH3COO]- 344.11395 200.5
[M+Na-2H]- 306.07477 169.7
[M]+ 285.09955 167.4
[M]- 285.10065 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.