CID 44411

63141-79-7

Structural Information

Molecular Formula
C13H14O
SMILES
CC(=CC(C#C)C1=CC=C(C=C1)O)C
InChI
InChI=1S/C13H14O/c1-4-11(9-10(2)3)12-5-7-13(14)8-6-12/h1,5-9,11,14H,2-3H3
InChIKey
JOMYANSJBFOTPO-UHFFFAOYSA-N
Compound name
4-(5-methylhex-4-en-1-yn-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.10446 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 142.6
[M+Na]+ 209.09368 154.4
[M+NH4]+ 204.13828 147.1
[M+K]+ 225.06762 145.3
[M-H]- 185.09718 136.1
[M+Na-2H]- 207.07913 145.4
[M]+ 186.10391 141.6
[M]- 186.10501 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.