CID 155821869

18725-24-1

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C#C)OCC(COC)O
InChI
InChI=1S/C9H16O3/c1-5-9(2,3)12-7-8(10)6-11-4/h1,8,10H,6-7H2,2-4H3
InChIKey
KRJRQKOAFVFVKO-UHFFFAOYSA-N
Compound name
1-methoxy-3-(2-methylbut-3-yn-2-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 138.6
[M+Na]+ 195.099158 146.8
[M-H]- 171.102664 137.1
[M+NH4]+ 190.143763 156.4
[M+K]+ 211.073098 146.2
[M+H-H2O]+ 155.107200 128.5
[M+HCOO]- 217.108141 153.1
[M+CH3COO]- 231.123791 187.4
[M+Na-2H]- 193.084606 142.6
[M]+ 172.10939142 136.2
[M]- 172.11048858 136.2
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

No patent data available for this compound.