CID 468581

1-octa-1,3,5,7-tetraynylcyclohexan-1-ol

Structural Information

Molecular Formula
C14H12O
SMILES
C#CC#CC#CC#CC1(CCCCC1)O
InChI
InChI=1S/C14H12O/c1-2-3-4-5-6-8-11-14(15)12-9-7-10-13-14/h1,15H,7,9-10,12-13H2
InChIKey
ZZCVPLIDWNZXDS-UHFFFAOYSA-N
Compound name
1-octa-1,3,5,7-tetraynylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.08882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09610 163.4
[M+Na]+ 219.07804 169.5
[M-H]- 195.08154 167.2
[M+NH4]+ 214.12264 167.9
[M+K]+ 235.05198 164.7
[M+H-H2O]+ 179.08608 156.4
[M+HCOO]- 241.08702 163.2
[M+CH3COO]- 255.10267 242.0
[M+Na-2H]- 217.06349 160.9
[M]+ 196.08827 157.5
[M]- 196.08937 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.