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 145.7
[M+Na]+ 209.09368 154.8
[M-H]- 185.09718 146.6
[M+NH4]+ 204.13828 162.8
[M+K]+ 225.06762 149.8
[M+H-H2O]+ 169.10172 134.4
[M+HCOO]- 231.10266 160.6
[M+CH3COO]- 245.11831 190.4
[M+Na-2H]- 207.07913 147.3
[M]+ 186.10391 139.0
[M]- 186.10501 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.