CID 21748065

Einecs 283-243-7

Structural Information

Molecular Formula
C9H18O5
SMILES
CCC(=O)OCCOCCOCCO
InChI
InChI=1S/C9H18O5/c1-2-9(11)14-8-7-13-6-5-12-4-3-10/h10H,2-8H2,1H3
InChIKey
CLDXGLBKECXSBG-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxy]ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

206.11542 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.122696 146.3
[M+Na]+ 229.104638 151.8
[M-H]- 205.108144 144.6
[M+NH4]+ 224.149243 164.6
[M+K]+ 245.078578 152.2
[M+H-H2O]+ 189.112680 140.8
[M+HCOO]- 251.113621 168.0
[M+CH3COO]- 265.129271 182.8
[M+Na-2H]- 227.090086 150.1
[M]+ 206.11487142 152.7
[M]- 206.11596858 152.7
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