CID 31519

1,3-benzodioxol-4-ol, methylcarbamate

Structural Information

Molecular Formula
C9H9NO4
SMILES
CNC(=O)OC1=CC=CC2=C1OCO2
InChI
InChI=1S/C9H9NO4/c1-10-9(11)14-7-4-2-3-6-8(7)13-5-12-6/h2-4H,5H2,1H3,(H,10,11)
InChIKey
JUUUMPAIZNPCBV-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-4-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.05316 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 137.7
[M+Na]+ 218.04238 145.6
[M-H]- 194.04588 143.8
[M+NH4]+ 213.08698 157.0
[M+K]+ 234.01632 146.9
[M+H-H2O]+ 178.05042 132.3
[M+HCOO]- 240.05136 160.7
[M+CH3COO]- 254.06701 182.2
[M+Na-2H]- 216.02783 146.0
[M]+ 195.05261 140.9
[M]- 195.05371 140.9
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