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]+ 187.111736 145.7
[M+Na]+ 209.093678 154.8
[M-H]- 185.097184 146.6
[M+NH4]+ 204.138283 162.8
[M+K]+ 225.067618 149.8
[M+H-H2O]+ 169.101720 134.4
[M+HCOO]- 231.102661 160.6
[M+CH3COO]- 245.118311 190.4
[M+Na-2H]- 207.079126 147.3
[M]+ 186.10391142 139.1
[M]- 186.10500858 139.1
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.