CID 22352791

5-(2-hydroxyethoxy)pentan-1-ol

Structural Information

Molecular Formula
C7H16O3
SMILES
C(CCO)CCOCCO
InChI
InChI=1S/C7H16O3/c8-4-2-1-3-6-10-7-5-9/h8-9H,1-7H2
InChIKey
YFRJXBIAGPRYQF-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethoxy)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

148.10994 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.11722 132.2
[M+Na]+ 171.09916 141.1
[M+NH4]+ 166.14376 139.0
[M+K]+ 187.07310 136.1
[M-H]- 147.10266 130.2
[M+Na-2H]- 169.08461 134.5
[M]+ 148.10939 132.5
[M]- 148.11049 132.5
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