CID 93485

87188-51-0

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

CC(C)(C)OC(=O)OC1=CC=C(C=C1)C=C

InChI

InChI=1S/C13H16O3/c1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4/h5-9H,1H2,2-4H3

InChIKey

GJWMYLFHBXEWNZ-UHFFFAOYSA-N

Compound name

tert-butyl (4-ethenylphenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2077
Patents: 220.10994 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.11722	148.8
[M+Na]+	243.09916	156.5
[M-H]-	219.10266	152.7
[M+NH4]+	238.14376	167.7
[M+K]+	259.07310	155.0
[M+H-H2O]+	203.10720	143.3
[M+HCOO]-	265.10814	170.8
[M+CH3COO]-	279.12379	188.0
[M+Na-2H]-	241.08461	153.9
[M]+	220.10939	152.3
[M]-	220.11049	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe