CID 107132

3605-82-1

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(=C)C(COC(C)(C)C)O
InChI
InChI=1S/C9H18O2/c1-7(2)8(10)6-11-9(3,4)5/h8,10H,1,6H2,2-5H3
InChIKey
VJPAQMNQYGXQOW-UHFFFAOYSA-N
Compound name
3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 137.5
[M+Na]+ 181.119898 143.6
[M-H]- 157.123404 136.5
[M+NH4]+ 176.164503 158.1
[M+K]+ 197.093838 143.3
[M+H-H2O]+ 141.127940 133.7
[M+HCOO]- 203.128881 156.1
[M+CH3COO]- 217.144531 177.9
[M+Na-2H]- 179.105346 140.8
[M]+ 158.13013142 138.4
[M]- 158.13122858 138.4
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.