CID 139596509

Ns00095248

Structural Information

Molecular Formula
C35H72O10
SMILES
CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C35H72O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-42-30-33(2)44-32-35(4)45-31-34(3)43-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-17-36/h33-36H,5-32H2,1-4H3
InChIKey
OWXHFRCTJWPZKP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.5126 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.519876 274.3
[M+Na]+ 675.501818 275.0
[M-H]- 651.505324 261.9
[M+NH4]+ 670.546423 279.3
[M+K]+ 691.475758 276.6
[M+H-H2O]+ 635.509860 275.0
[M+HCOO]- 697.510801 274.5
[M+CH3COO]- 711.526451 268.9
[M+Na-2H]- 673.487266 254.9
[M]+ 652.51205142 275.5
[M]- 652.51314858 275.5
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

No patent data available for this compound.