CID 20921

4790-82-3

Structural Information

Molecular Formula
C10H9NO3
SMILES
CNC(=O)OC1=CC=CC2=C1OC=C2
InChI
InChI=1S/C10H9NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-6H,1H3,(H,11,12)
InChIKey
LVKKPBPHGILWOM-UHFFFAOYSA-N
Compound name
1-benzofuran-7-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

191.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.5
[M+Na]+ 214.047458 146.1
[M-H]- 190.050964 142.7
[M+NH4]+ 209.092063 157.7
[M+K]+ 230.021398 145.5
[M+H-H2O]+ 174.055500 131.0
[M+HCOO]- 236.056441 162.9
[M+CH3COO]- 250.072091 182.2
[M+Na-2H]- 212.032906 145.3
[M]+ 191.05769142 140.9
[M]- 191.05878858 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

literature stripe

Patent stripe

patents stripe