CID 232376

Furfuryl n-phenylcarbamate

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1=CC=C(C=C1)NC(=O)OCC2=CC=CO2
InChI
InChI=1S/C12H11NO3/c14-12(13-10-5-2-1-3-6-10)16-9-11-7-4-8-15-11/h1-8H,9H2,(H,13,14)
InChIKey
GMYLCNWXXSTPJU-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 146.0
[M+Na]+ 240.06312 152.5
[M-H]- 216.06662 153.4
[M+NH4]+ 235.10772 164.2
[M+K]+ 256.03706 151.7
[M+H-H2O]+ 200.07116 139.0
[M+HCOO]- 262.07210 171.8
[M+CH3COO]- 276.08775 185.6
[M+Na-2H]- 238.04857 152.7
[M]+ 217.07335 147.8
[M]- 217.07445 147.8
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