CID 22272891

3-(oxan-4-yl)propan-1-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
C1COCCC1CCCO
InChI
InChI=1S/C8H16O2/c9-5-1-2-8-3-6-10-7-4-8/h8-9H,1-7H2
InChIKey
FGWQPRUQOJWITB-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

144.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.0
[M+Na]+ 167.10426 136.3
[M-H]- 143.10776 133.9
[M+NH4]+ 162.14886 151.2
[M+K]+ 183.07820 136.4
[M+H-H2O]+ 127.11230 126.6
[M+HCOO]- 189.11324 150.6
[M+CH3COO]- 203.12889 170.7
[M+Na-2H]- 165.08971 138.3
[M]+ 144.11449 128.9
[M]- 144.11559 128.9
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