CID 146683878

Anaephene a

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CCC/C=C/CCCCC1=CC(=CC=C1)O

InChI

InChI=1S/C15H22O/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14/h4-5,9,11-13,16H,2-3,6-8,10H2,1H3/b5-4+

InChIKey

ACGPFWZDANXQSU-SNAWJCMRSA-N

Compound name

3-[(E)-non-5-enyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 218.16707 Da
Monoisotopic Mass: 5.3
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]+	219.17435	153.7
[M+Na]+	241.15629	159.4
[M-H]-	217.15979	155.2
[M+NH4]+	236.20089	171.8
[M+K]+	257.13023	155.1
[M+H-H2O]+	201.16433	147.5
[M+HCOO]-	263.16527	175.2
[M+CH3COO]-	277.18092	188.5
[M+Na-2H]-	239.14174	157.5
[M]+	218.16652	154.9
[M]-	218.16762	154.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.