CID 81113

Tert-butyl phenyl carbonate

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)(C)OC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
UXWVQHXKKOGTSY-UHFFFAOYSA-N
Compound name
tert-butyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1057
Patents

194.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.0
[M+Na]+ 217.08352 149.2
[M-H]- 193.08702 145.8
[M+NH4]+ 212.12812 161.7
[M+K]+ 233.05746 148.8
[M+H-H2O]+ 177.09156 136.5
[M+HCOO]- 239.09250 164.3
[M+CH3COO]- 253.10815 181.7
[M+Na-2H]- 215.06897 148.7
[M]+ 194.09375 145.0
[M]- 194.09485 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe