CID 7633

103-07-1

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(=O)OC(C)(C)CCC1=CC=CC=C1
InChI
InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKey
ZXFNOEJFYLQUSB-UHFFFAOYSA-N
Compound name
(2-methyl-4-phenylbutan-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

675
Patents

206.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 148.1
[M+Na]+ 229.11990 159.8
[M+NH4]+ 224.16450 156.0
[M+K]+ 245.09384 153.7
[M-H]- 205.12340 149.3
[M+Na-2H]- 227.10535 154.4
[M]+ 206.13013 150.1
[M]- 206.13123 150.1
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