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]+ 163.09648 135.3
[M+Na]+ 185.07842 141.2
[M-H]- 161.08192 132.5
[M+NH4]+ 180.12302 154.5
[M+K]+ 201.05236 140.6
[M+H-H2O]+ 145.08646 130.5
[M+HCOO]- 207.08740 155.9
[M+CH3COO]- 221.10305 172.8
[M+Na-2H]- 183.06387 139.5
[M]+ 162.08865 137.6
[M]- 162.08975 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