CID 62603

6386-38-5

Structural Information

Molecular Formula

C₁₈H₂₈O₃

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC

InChI

InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3

InChIKey

PXMJCECEFTYEKE-UHFFFAOYSA-N

Compound name

methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3393
Patents: 292.20386 Da
Monoisotopic Mass: 5.0
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]+	293.21114	172.6
[M+Na]+	315.19308	183.0
[M+NH4]+	310.23768	178.4
[M+K]+	331.16702	178.6
[M-H]-	291.19658	172.1
[M+Na-2H]-	313.17853	175.9
[M]+	292.20331	173.9
[M]-	292.20441	173.9

Literature stripe

literature stripe

Patent stripe

patents stripe