CID 14794263

4-(oxolan-2-yl)butan-1-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
C1CC(OC1)CCCCO
InChI
InChI=1S/C8H16O2/c9-6-2-1-4-8-5-3-7-10-8/h8-9H,1-7H2
InChIKey
USGLOBLTQVEPRF-UHFFFAOYSA-N
Compound name
4-(oxolan-2-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

144.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.7
[M+Na]+ 167.10426 137.9
[M-H]- 143.10776 134.6
[M+NH4]+ 162.14886 153.7
[M+K]+ 183.07820 137.8
[M+H-H2O]+ 127.11230 127.7
[M+HCOO]- 189.11324 153.3
[M+CH3COO]- 203.12889 170.4
[M+Na-2H]- 165.08971 137.6
[M]+ 144.11449 131.5
[M]- 144.11559 131.5
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