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

8
Patents

195.05316 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 137.7
[M+Na]+ 218.042378 145.6
[M-H]- 194.045884 143.8
[M+NH4]+ 213.086983 157.0
[M+K]+ 234.016318 146.9
[M+H-H2O]+ 178.050420 132.3
[M+HCOO]- 240.051361 160.7
[M+CH3COO]- 254.067011 182.2
[M+Na-2H]- 216.027826 146.0
[M]+ 195.05261142 140.9
[M]- 195.05370858 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