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]+ 197.096096 163.4
[M+Na]+ 219.078038 169.5
[M-H]- 195.081544 167.2
[M+NH4]+ 214.122643 167.9
[M+K]+ 235.051978 164.7
[M+H-H2O]+ 179.086080 156.4
[M+HCOO]- 241.087021 163.2
[M+CH3COO]- 255.102671 242.0
[M+Na-2H]- 217.063486 160.9
[M]+ 196.08827142 157.5
[M]- 196.08936858 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.