CID 227181

4-(tetrahydro-furan-2-yl)-butan-2-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(CCC1CCCO1)O
InChI
InChI=1S/C8H16O2/c1-7(9)4-5-8-3-2-6-10-8/h7-9H,2-6H2,1H3
InChIKey
JBLNBMHKAAHKDC-UHFFFAOYSA-N
Compound name
4-(oxolan-2-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 133.5
[M+Na]+ 167.10426 138.5
[M-H]- 143.10776 135.6
[M+NH4]+ 162.14886 154.5
[M+K]+ 183.07820 138.9
[M+H-H2O]+ 127.11230 128.6
[M+HCOO]- 189.11324 153.1
[M+CH3COO]- 203.12889 171.3
[M+Na-2H]- 165.08971 137.2
[M]+ 144.11449 131.7
[M]- 144.11559 131.7
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.