CID 4121134

4-(4-cyclohexylphenyl)-3-butyn-1-ol

Structural Information

Molecular Formula
C16H20O
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C#CCCO
InChI
InChI=1S/C16H20O/c17-13-5-4-6-14-9-11-16(12-10-14)15-7-2-1-3-8-15/h9-12,15,17H,1-3,5,7-8,13H2
InChIKey
PNJRGDZUMNBBER-UHFFFAOYSA-N
Compound name
4-(4-cyclohexylphenyl)but-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.15141 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15869 156.2
[M+Na]+ 251.14063 163.4
[M-H]- 227.14413 158.5
[M+NH4]+ 246.18523 171.4
[M+K]+ 267.11457 156.0
[M+H-H2O]+ 211.14867 143.6
[M+HCOO]- 273.14961 169.2
[M+CH3COO]- 287.16526 194.2
[M+Na-2H]- 249.12608 158.2
[M]+ 228.15086 146.0
[M]- 228.15196 146.0
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

patents stripe