CID 28423

4-acetamidophenyl ethyl carbonate

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCOC(=O)OC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C11H13NO4/c1-3-15-11(14)16-10-6-4-9(5-7-10)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKey
AXHGKAOXRWHBIF-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.08446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.7
[M+Na]+ 246.07368 154.4
[M-H]- 222.07718 151.5
[M+NH4]+ 241.11828 165.7
[M+K]+ 262.04762 153.9
[M+H-H2O]+ 206.08172 141.1
[M+HCOO]- 268.08266 172.0
[M+CH3COO]- 282.09831 189.5
[M+Na-2H]- 244.05913 152.0
[M]+ 223.08391 150.8
[M]- 223.08501 150.8
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