CID 232036

Ethyl 2-methyl-2-phenylpropanoate

Structural Information

Molecular Formula
C12H16O2
SMILES
CCOC(=O)C(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C12H16O2/c1-4-14-11(13)12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKey
OFYSAFPKXXTYLU-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
Patents

192.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 143.6
[M+Na]+ 215.10426 155.5
[M+NH4]+ 210.14886 151.7
[M+K]+ 231.07820 149.7
[M-H]- 191.10776 144.9
[M+Na-2H]- 213.08971 150.2
[M]+ 192.11449 145.7
[M]- 192.11559 145.7
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