CID 79734199

4-(prop-2-en-1-yl)oxan-4-ol

Structural Information

Molecular Formula
C8H14O2
SMILES
C=CCC1(CCOCC1)O
InChI
InChI=1S/C8H14O2/c1-2-3-8(9)4-6-10-7-5-8/h2,9H,1,3-7H2
InChIKey
YXHPHKSSMJAOII-UHFFFAOYSA-N
Compound name
4-prop-2-enyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

142.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.1
[M+Na]+ 165.088598 135.6
[M-H]- 141.092104 132.4
[M+NH4]+ 160.133203 151.4
[M+K]+ 181.062538 135.4
[M+H-H2O]+ 125.096640 125.7
[M+HCOO]- 187.097581 148.9
[M+CH3COO]- 201.113231 169.4
[M+Na-2H]- 163.074046 137.6
[M]+ 142.09883142 126.6
[M]- 142.09992858 126.6
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