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]+ 286.107376 163.9
[M+Na]+ 308.089318 171.0
[M-H]- 284.092824 172.9
[M+NH4]+ 303.133923 179.3
[M+K]+ 324.063258 170.4
[M+H-H2O]+ 268.097360 156.8
[M+HCOO]- 330.098301 185.9
[M+CH3COO]- 344.113951 200.5
[M+Na-2H]- 306.074766 169.7
[M]+ 285.09955142 167.4
[M]- 285.10064858 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.