CID 84940

15484-80-7

Structural Information

Molecular Formula
C13H16O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C
InChI
InChI=1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3
InChIKey
ZLHVSEPPILCZHH-UHFFFAOYSA-N
Compound name
ethenyl 4-tert-butylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2747
Patents

204.11504 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 145.2
[M+Na]+ 227.10426 152.9
[M-H]- 203.10776 149.1
[M+NH4]+ 222.14886 164.8
[M+K]+ 243.07820 150.9
[M+H-H2O]+ 187.11230 140.0
[M+HCOO]- 249.11324 166.9
[M+CH3COO]- 263.12889 186.6
[M+Na-2H]- 225.08971 150.3
[M]+ 204.11449 147.4
[M]- 204.11559 147.4
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