CID 8440

1,3-benzodioxol-5-ol, methylcarbamate

Structural Information

Molecular Formula
C9H9NO4
SMILES
CNC(=O)OC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C9H9NO4/c1-10-9(11)14-6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3,(H,10,11)
InChIKey
GLYGYVWDYBENHG-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.05316 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.7
[M+Na]+ 218.04238 149.3
[M+NH4]+ 213.08698 146.4
[M+K]+ 234.01632 147.3
[M-H]- 194.04588 142.5
[M+Na-2H]- 216.02783 142.3
[M]+ 195.05261 141.0
[M]- 195.05371 141.0
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

patents stripe