CID 113548

2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethanol

Structural Information

Molecular Formula
C7H16O5
SMILES
C(COCCOCCOCO)O
InChI
InChI=1S/C7H16O5/c8-1-2-10-3-4-11-5-6-12-7-9/h8-9H,1-7H2
InChIKey
ZZCFMIFSHLELND-UHFFFAOYSA-N
Compound name
2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

180.09978 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.107056 138.2
[M+Na]+ 203.088998 143.9
[M-H]- 179.092504 135.2
[M+NH4]+ 198.133603 156.8
[M+K]+ 219.062938 144.0
[M+H-H2O]+ 163.097040 133.0
[M+HCOO]- 225.097981 159.8
[M+CH3COO]- 239.113631 174.9
[M+Na-2H]- 201.074446 143.8
[M]+ 180.09923142 143.3
[M]- 180.10032858 143.3
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