CID 59511130

2-(cyclooct-2-yn-1-yloxy)acetic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
C1CCC#CC(CC1)OCC(=O)O
InChI
InChI=1S/C10H14O3/c11-10(12)8-13-9-6-4-2-1-3-5-7-9/h9H,1-4,6,8H2,(H,11,12)
InChIKey
QUIAKSQMOGTDQJ-UHFFFAOYSA-N
Compound name
2-cyclooct-2-yn-1-yloxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

141
Patents

182.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 142.0
[M+Na]+ 205.08352 144.8
[M+NH4]+ 200.12812 144.5
[M+K]+ 221.05746 144.8
[M-H]- 181.08702 142.2
[M+Na-2H]- 203.06897 144.7
[M]+ 182.09375 142.3
[M]- 182.09485 142.3
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

patents stripe