CID 6452727

3,6,9,12,15-pentaoxaheptadecane-1,17-diol, hexamethyl-

Structural Information

Molecular Formula
C18H38O7
SMILES
CC(C)(COCCOCCOCCOCCO)OC(C)(C)C(C)(C)O
InChI
InChI=1S/C18H38O7/c1-16(2,25-18(5,6)17(3,4)20)15-24-14-13-23-12-11-22-10-9-21-8-7-19/h19-20H,7-15H2,1-6H3
InChIKey
CLIPKFOCBNSYQO-UHFFFAOYSA-N
Compound name
3-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropan-2-yl]oxy-2,3-dimethylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

366.26175 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.269026 192.1
[M+Na]+ 389.250968 189.9
[M-H]- 365.254474 182.7
[M+NH4]+ 384.295573 188.4
[M+K]+ 405.224908 194.3
[M+H-H2O]+ 349.259010 186.6
[M+HCOO]- 411.259951 203.2
[M+CH3COO]- 425.275601 213.4
[M+Na-2H]- 387.236416 196.0
[M]+ 366.26120142 192.2
[M]- 366.26229858 192.2
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