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

73
Patents

148.10994 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.117216 133.6
[M+Na]+ 171.099158 139.5
[M-H]- 147.102664 130.7
[M+NH4]+ 166.143763 153.6
[M+K]+ 187.073098 138.6
[M+H-H2O]+ 131.107200 129.0
[M+HCOO]- 193.108141 154.8
[M+CH3COO]- 207.123791 170.8
[M+Na-2H]- 169.084606 139.1
[M]+ 148.10939142 135.8
[M]- 148.11048858 135.8
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