CID 8923

Triethylene glycol monobutyl ether

Structural Information

Molecular Formula
C10H22O4
SMILES
CCCCOCCOCCOCCO
InChI
InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
InChIKey
COBPKKZHLDDMTB-UHFFFAOYSA-N
Compound name
2-[2-(2-butoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

46864
Patents

206.15181 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.15909 149.1
[M+Na]+ 229.14103 154.1
[M-H]- 205.14453 147.1
[M+NH4]+ 224.18563 167.5
[M+K]+ 245.11497 153.8
[M+H-H2O]+ 189.14907 143.4
[M+HCOO]- 251.15001 171.1
[M+CH3COO]- 265.16566 184.5
[M+Na-2H]- 227.12648 153.6
[M]+ 206.15126 155.9
[M]- 206.15236 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe