CID 146683877

Anaephene b

Structural Information

Molecular Formula

C₁₇H₂₂O

SMILES

C#CCCC/C=C/CCCCC1=CC(=CC=C1)O

InChI

InChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-17(18)15-16/h1,6-7,11,13-15,18H,3-5,8-10,12H2/b7-6+

InChIKey

ONAACYBLFDMUOW-VOTSOKGWSA-N

Compound name

3-[(E)-undec-5-en-10-ynyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 242.16707 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]+	243.174346	159.4
[M+Na]+	265.156288	167.4
[M-H]-	241.159794	159.5
[M+NH4]+	260.200893	174.6
[M+K]+	281.130228	160.6
[M+H-H2O]+	225.164330	147.2
[M+HCOO]-	287.165271	174.9
[M+CH3COO]-	301.180921	199.7
[M+Na-2H]-	263.141736	161.5
[M]+	242.16652142	155.3
[M]-	242.16761858	155.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.