CID 204217

N-acetylcarbofuran

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C14H17NO4/c1-9(16)15(4)13(17)18-11-7-5-6-10-8-14(2,3)19-12(10)11/h5-7H,8H2,1-4H3
InChIKey
BUVAFNKYHGEFIW-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 158.6
[M+Na]+ 286.10497 168.3
[M+NH4]+ 281.14957 167.0
[M+K]+ 302.07891 164.5
[M-H]- 262.10847 160.9
[M+Na-2H]- 284.09042 162.7
[M]+ 263.11520 160.5
[M]- 263.11630 160.5
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