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]+ 238.10739 152.5
[M+Na]+ 260.08933 158.5
[M-H]- 236.09283 156.2
[M+NH4]+ 255.13393 169.9
[M+K]+ 276.06327 158.4
[M+H-H2O]+ 220.09737 145.9
[M+HCOO]- 282.09831 175.5
[M+CH3COO]- 296.11396 193.5
[M+Na-2H]- 258.07478 155.1
[M]+ 237.09956 155.4
[M]- 237.10066 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.