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

67
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 133.6
[M+Na]+ 171.09916 139.5
[M-H]- 147.10266 130.7
[M+NH4]+ 166.14376 153.6
[M+K]+ 187.07310 138.6
[M+H-H2O]+ 131.10720 129.0
[M+HCOO]- 193.10814 154.8
[M+CH3COO]- 207.12379 170.8
[M+Na-2H]- 169.08461 139.1
[M]+ 148.10939 135.8
[M]- 148.11049 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