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]+ 131.10666 127.6
[M+Na]+ 153.08860 133.9
[M-H]- 129.09210 130.2
[M+NH4]+ 148.13320 151.2
[M+K]+ 169.06254 134.7
[M+H-H2O]+ 113.09664 123.9
[M+HCOO]- 175.09758 147.6
[M+CH3COO]- 189.11323 167.8
[M+Na-2H]- 151.07405 133.1
[M]+ 130.09883 125.8
[M]- 130.09993 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