CID 142834596

3-[2-(3-hydroxypropoxy)ethoxy]propanoic acid

Structural Information

Molecular Formula
C8H16O5
SMILES
C(CO)COCCOCCC(=O)O
InChI
InChI=1S/C8H16O5/c9-3-1-4-12-6-7-13-5-2-8(10)11/h9H,1-7H2,(H,10,11)
InChIKey
BTLCQBZHSNTMEC-UHFFFAOYSA-N
Compound name
3-[2-(3-hydroxypropoxy)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.09978 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10706 142.1
[M+Na]+ 215.08900 147.5
[M-H]- 191.09250 139.1
[M+NH4]+ 210.13360 160.1
[M+K]+ 231.06294 147.2
[M+H-H2O]+ 175.09704 136.9
[M+HCOO]- 237.09798 162.6
[M+CH3COO]- 251.11363 177.9
[M+Na-2H]- 213.07445 145.9
[M]+ 192.09923 146.3
[M]- 192.10033 146.3
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