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

36
Patents

168.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 144.5
[M+Na]+ 191.104258 148.0
[M-H]- 167.107764 145.3
[M+NH4]+ 186.148863 153.4
[M+K]+ 207.078198 148.6
[M+H-H2O]+ 151.112300 141.2
[M+HCOO]- 213.113241 153.1
[M+CH3COO]- 227.128891 219.2
[M+Na-2H]- 189.089706 145.0
[M]+ 168.11449142 142.9
[M]- 168.11558858 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