CID 10988122

103890-69-3

Structural Information

Molecular Formula

C₁₄H₁₆O₃

SMILES

CC(C)(C)OC(=O)/C=C/C1=CC=CC=C1C=O

InChI

InChI=1S/C14H16O3/c1-14(2,3)17-13(16)9-8-11-6-4-5-7-12(11)10-15/h4-10H,1-3H3/b9-8+

InChIKey

AXPDMCJJNSJNCA-CMDGGOBGSA-N

Compound name

tert-butyl (E)-3-(2-formylphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 232.10994 Da
Monoisotopic Mass: 2.6
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]+	233.117216	152.0
[M+Na]+	255.099158	159.5
[M-H]-	231.102664	155.7
[M+NH4]+	250.143763	170.3
[M+K]+	271.073098	157.1
[M+H-H2O]+	215.107200	146.4
[M+HCOO]-	277.108141	173.8
[M+CH3COO]-	291.123791	190.1
[M+Na-2H]-	253.084606	156.6
[M]+	232.10939142	155.1
[M]-	232.11048858	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe