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]+ 193.107056 142.1
[M+Na]+ 215.088998 147.5
[M-H]- 191.092504 139.1
[M+NH4]+ 210.133603 160.1
[M+K]+ 231.062938 147.2
[M+H-H2O]+ 175.097040 136.9
[M+HCOO]- 237.097981 162.6
[M+CH3COO]- 251.113631 177.9
[M+Na-2H]- 213.074446 145.9
[M]+ 192.09923142 146.3
[M]- 192.10032858 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