CID 9024

151-05-3

Structural Information

Molecular Formula
C12H16O2
SMILES
CC(=O)OC(C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey
FLUWAIIVLCVEKF-UHFFFAOYSA-N
Compound name
(2-methyl-1-phenylpropan-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

10457
Patents

192.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 143.0
[M+Na]+ 215.10426 149.7
[M-H]- 191.10776 146.6
[M+NH4]+ 210.14886 162.7
[M+K]+ 231.07820 148.5
[M+H-H2O]+ 175.11230 137.5
[M+HCOO]- 237.11324 164.8
[M+CH3COO]- 251.12889 184.0
[M+Na-2H]- 213.08971 149.2
[M]+ 192.11449 145.1
[M]- 192.11559 145.1
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