CID 28421

4-acetamidophenyl isopropyl carbonate

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C)OC(=O)OC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C12H15NO4/c1-8(2)16-12(15)17-11-6-4-10(5-7-11)13-9(3)14/h4-8H,1-3H3,(H,13,14)
InChIKey
CKHZVJCAFJJHEB-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 152.5
[M+Na]+ 260.089328 158.5
[M-H]- 236.092834 156.2
[M+NH4]+ 255.133933 169.9
[M+K]+ 276.063268 158.4
[M+H-H2O]+ 220.097370 145.9
[M+HCOO]- 282.098311 175.5
[M+CH3COO]- 296.113961 193.5
[M+Na-2H]- 258.074776 155.1
[M]+ 237.09956142 155.4
[M]- 237.10065858 155.4
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.