CID 11321982

142731-63-3

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

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

InChI

InChI=1S/C15H24O/c1-5-15(4,11-10-12(2)3)13-6-8-14(16)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3

InChIKey

BGLUSMSXKMBLFS-UHFFFAOYSA-N

Compound name

4-(3,6-dimethylheptan-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 3
Patents: 220.18271 Da
Monoisotopic Mass: 5.7
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]+	221.189986	154.7
[M+Na]+	243.171928	160.3
[M-H]-	219.175434	156.6
[M+NH4]+	238.216533	172.9
[M+K]+	259.145868	157.5
[M+H-H2O]+	203.179970	149.2
[M+HCOO]-	265.180911	173.4
[M+CH3COO]-	279.196561	191.2
[M+Na-2H]-	241.157376	158.0
[M]+	220.18216142	155.7
[M]-	220.18325858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe