CID 28971948

5-(2-hydroxyethoxy)pentanoic acid

Structural Information

Molecular Formula
C7H14O4
SMILES
C(CCOCCO)CC(=O)O
InChI
InChI=1S/C7H14O4/c8-4-6-11-5-2-1-3-7(9)10/h8H,1-6H2,(H,9,10)
InChIKey
QKCNHWFZRJSXIP-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethoxy)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

162.0892 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.096476 135.3
[M+Na]+ 185.078418 141.2
[M-H]- 161.081924 132.5
[M+NH4]+ 180.123023 154.5
[M+K]+ 201.052358 140.6
[M+H-H2O]+ 145.086460 130.5
[M+HCOO]- 207.087401 155.9
[M+CH3COO]- 221.103051 172.8
[M+Na-2H]- 183.063866 139.5
[M]+ 162.08865142 137.6
[M]- 162.08974858 137.6
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