CID 30164

4-acetamidophenyl isobutyl carbonate

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC(C)COC(=O)OC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C13H17NO4/c1-9(2)8-17-13(16)18-12-6-4-11(5-7-12)14-10(3)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKey
PGKOLYSUULYZTK-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) 2-methylpropyl 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]+ 252.12303 157.2
[M+Na]+ 274.10497 162.8
[M-H]- 250.10847 160.7
[M+NH4]+ 269.14957 174.0
[M+K]+ 290.07891 162.4
[M+H-H2O]+ 234.11301 150.4
[M+HCOO]- 296.11395 179.8
[M+CH3COO]- 310.12960 196.5
[M+Na-2H]- 272.09042 159.2
[M]+ 251.11520 160.5
[M]- 251.11630 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

No patent data available for this compound.