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]+ 173.11722 138.6
[M+Na]+ 195.09916 146.8
[M-H]- 171.10266 137.1
[M+NH4]+ 190.14376 156.4
[M+K]+ 211.07310 146.2
[M+H-H2O]+ 155.10720 128.5
[M+HCOO]- 217.10814 153.1
[M+CH3COO]- 231.12379 187.4
[M+Na-2H]- 193.08461 142.6
[M]+ 172.10939 136.2
[M]- 172.11049 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.