CID 29842

4-acetamidophenyl butyl carbonate

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCCCOC(=O)OC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C13H17NO4/c1-3-4-9-17-13(16)18-12-7-5-11(6-8-12)14-10(2)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKey
HMDOTBHCMSTMJG-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) butyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 157.1
[M+Na]+ 274.104968 162.9
[M-H]- 250.108474 160.5
[M+NH4]+ 269.149573 173.9
[M+K]+ 290.078908 161.9
[M+H-H2O]+ 234.113010 150.1
[M+HCOO]- 296.113951 180.7
[M+CH3COO]- 310.129601 195.6
[M+Na-2H]- 272.090416 160.3
[M]+ 251.11520142 160.9
[M]- 251.11629858 160.9
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

No patent data available for this compound.