CID 62213

53694-15-8

Structural Information

Molecular Formula
C18H38O12
SMILES
C(COCC(C(C(C(COCCO)OCCO)OCCO)OCCO)OCCO)O
InChI
InChI=1S/C18H38O12/c19-1-7-25-13-15(27-9-3-21)17(29-11-5-23)18(30-12-6-24)16(28-10-4-22)14-26-8-2-20/h15-24H,1-14H2
InChIKey
VDQWQTYEEJHNSB-UHFFFAOYSA-N
Compound name
2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

446.23633 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.24361 218.1
[M+Na]+ 469.22555 215.8
[M-H]- 445.22905 212.4
[M+NH4]+ 464.27015 214.7
[M+K]+ 485.19949 211.2
[M+H-H2O]+ 429.23359 215.3
[M+HCOO]- 491.23453 214.0
[M+CH3COO]- 505.25018 217.0
[M+Na-2H]- 467.21100 201.8
[M]+ 446.23578 213.3
[M]- 446.23688 213.3
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