CID 86712390

2-(cyclooct-2-yn-1-yloxy)ethan-1-ol

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCC#CC(CC1)OCCO
InChI
InChI=1S/C10H16O2/c11-8-9-12-10-6-4-2-1-3-5-7-10/h10-11H,1-4,6,8-9H2
InChIKey
AQYGQWZKMMQNFW-UHFFFAOYSA-N
Compound name
2-cyclooct-2-yn-1-yloxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

168.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 144.5
[M+Na]+ 191.10426 148.0
[M-H]- 167.10776 145.3
[M+NH4]+ 186.14886 153.4
[M+K]+ 207.07820 148.6
[M+H-H2O]+ 151.11230 141.2
[M+HCOO]- 213.11324 153.1
[M+CH3COO]- 227.12889 219.2
[M+Na-2H]- 189.08971 145.0
[M]+ 168.11449 142.9
[M]- 168.11559 142.9
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