CID 99275

Carbonic acid, ethyl 2-phenylethyl ester

Structural Information

Molecular Formula
C11H14O3
SMILES
CCOC(=O)OCCC1=CC=CC=C1
InChI
InChI=1S/C11H14O3/c1-2-13-11(12)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
HPJTVWUFDOZSMI-UHFFFAOYSA-N
Compound name
ethyl 2-phenylethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
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 142.3
[M+Na]+ 217.08352 148.9
[M-H]- 193.08702 145.6
[M+NH4]+ 212.12812 161.7
[M+K]+ 233.05746 148.0
[M+H-H2O]+ 177.09156 136.0
[M+HCOO]- 239.09250 166.2
[M+CH3COO]- 253.10815 182.0
[M+Na-2H]- 215.06897 148.2
[M]+ 194.09375 145.8
[M]- 194.09485 145.8
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

patents stripe