CID 20922

Brn 1375718

Structural Information

Molecular Formula
C10H11NO3
SMILES
CNC(=O)OC1=CC=CC2=C1OCC2
InChI
InChI=1S/C10H11NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey
KZSIVIPKLYWTDQ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 138.9
[M+Na]+ 216.06312 146.3
[M-H]- 192.06662 144.2
[M+NH4]+ 211.10772 159.7
[M+K]+ 232.03706 146.1
[M+H-H2O]+ 176.07116 133.3
[M+HCOO]- 238.07210 162.3
[M+CH3COO]- 252.08775 182.8
[M+Na-2H]- 214.04857 145.8
[M]+ 193.07335 140.4
[M]- 193.07445 140.4
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