CID 3058296

74926-94-6

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CCCCC(C)C1=CC=CC(=C1O)CCC

InChI

InChI=1S/C15H24O/c1-4-6-9-12(3)14-11-7-10-13(8-5-2)15(14)16/h7,10-12,16H,4-6,8-9H2,1-3H3

InChIKey

VJUXDCFFTWHCAS-UHFFFAOYSA-N

Compound name

2-hexan-2-yl-6-propylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
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]+	221.18999	154.6
[M+Na]+	243.17193	160.7
[M-H]-	219.17543	156.5
[M+NH4]+	238.21653	173.0
[M+K]+	259.14587	157.4
[M+H-H2O]+	203.17997	148.7
[M+HCOO]-	265.18091	174.9
[M+CH3COO]-	279.19656	192.0
[M+Na-2H]-	241.15738	156.5
[M]+	220.18216	156.4
[M]-	220.18326	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe