CID 3058304

74927-02-9

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CCCC(C)C1=C(C(=CC=C1)C(C)CCC)O

InChI

InChI=1S/C16H26O/c1-5-8-12(3)14-10-7-11-15(16(14)17)13(4)9-6-2/h7,10-13,17H,5-6,8-9H2,1-4H3

InChIKey

VZEZYUJNZGDCIH-UHFFFAOYSA-N

Compound name

2,6-di(pentan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 234.19836 Da
Monoisotopic Mass: 5.4
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]+	235.20564	159.3
[M+Na]+	257.18758	164.7
[M-H]-	233.19108	161.1
[M+NH4]+	252.23218	177.0
[M+K]+	273.16152	161.7
[M+H-H2O]+	217.19562	153.3
[M+HCOO]-	279.19656	178.2
[M+CH3COO]-	293.21221	195.9
[M+Na-2H]-	255.17303	159.3
[M]+	234.19781	160.8
[M]-	234.19891	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe