CID 134549

2696-33-5

Structural Information

Molecular Formula

C₁₃H₁₄O

SMILES

CC(C)(C#CC=C)C1=CC=C(C=C1)O

InChI

InChI=1S/C13H14O/c1-4-5-10-13(2,3)11-6-8-12(14)9-7-11/h4,6-9,14H,1H2,2-3H3

InChIKey

QRCZSLMYYOGMQQ-UHFFFAOYSA-N

Compound name

4-(2-methylhex-5-en-3-yn-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.10446 Da
Monoisotopic Mass: 4.0
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]+	187.11174	143.2
[M+Na]+	209.09368	155.4
[M+NH4]+	204.13828	147.7
[M+K]+	225.06762	145.8
[M-H]-	185.09718	136.5
[M+Na-2H]-	207.07913	146.5
[M]+	186.10391	142.3
[M]-	186.10501	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe