CID 121818

29338-36-1

Structural Information

Molecular Formula
C7H12O5
SMILES
C(CC(=O)O)CC(=O)OCCO
InChI
InChI=1S/C7H12O5/c8-4-5-12-7(11)3-1-2-6(9)10/h8H,1-5H2,(H,9,10)
InChIKey
VCGUYZUZNZHTGZ-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethoxy)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

176.06847 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.075746 136.7
[M+Na]+ 199.057688 142.7
[M-H]- 175.061194 134.0
[M+NH4]+ 194.102293 155.3
[M+K]+ 215.031628 142.5
[M+H-H2O]+ 159.065730 131.9
[M+HCOO]- 221.066671 156.8
[M+CH3COO]- 235.082321 174.2
[M+Na-2H]- 197.043136 139.8
[M]+ 176.06792142 139.0
[M]- 176.06901858 139.0
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