CID 4145510

4-tert-butylphenyl 2-methylbenzoate

Structural Information

Molecular Formula
C18H20O2
SMILES
CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C18H20O2/c1-13-7-5-6-8-16(13)17(19)20-15-11-9-14(10-12-15)18(2,3)4/h5-12H,1-4H3
InChIKey
BQEVUXZKZGXPNE-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 164.0
[M+Na]+ 291.13555 178.5
[M+NH4]+ 286.18015 172.4
[M+K]+ 307.10949 171.2
[M-H]- 267.13905 168.1
[M+Na-2H]- 289.12100 173.0
[M]+ 268.14578 167.5
[M]- 268.14688 167.5
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

No patent data available for this compound.