CID 58551503

3-isopropyltetrahydrofuran-3-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(C)C1(CCOC1)O
InChI
InChI=1S/C7H14O2/c1-6(2)7(8)3-4-9-5-7/h6,8H,3-5H2,1-2H3
InChIKey
JDDAUAFMBIXUHD-UHFFFAOYSA-N
Compound name
3-propan-2-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

130.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 127.6
[M+Na]+ 153.088598 133.9
[M-H]- 129.092104 130.2
[M+NH4]+ 148.133203 151.2
[M+K]+ 169.062538 134.7
[M+H-H2O]+ 113.096640 123.9
[M+HCOO]- 175.097581 147.6
[M+CH3COO]- 189.113231 167.8
[M+Na-2H]- 151.074046 133.1
[M]+ 130.09883142 125.8
[M]- 130.09992858 125.8
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

patents stripe