CID 15783713

5-(oxolan-2-yl)pentan-1-ol

Structural Information

Molecular Formula
C9H18O2
SMILES
C1CC(OC1)CCCCCO
InChI
InChI=1S/C9H18O2/c10-7-3-1-2-5-9-6-4-8-11-9/h9-10H,1-8H2
InChIKey
OJGLUOIJKRRSAQ-UHFFFAOYSA-N
Compound name
5-(oxolan-2-yl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

158.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 137.3
[M+Na]+ 181.119898 142.1
[M-H]- 157.123404 139.1
[M+NH4]+ 176.164503 157.8
[M+K]+ 197.093838 141.8
[M+H-H2O]+ 141.127940 132.1
[M+HCOO]- 203.128881 157.6
[M+CH3COO]- 217.144531 173.5
[M+Na-2H]- 179.105346 141.7
[M]+ 158.13013142 136.6
[M]- 158.13122858 136.6
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