CID 139596153

Ns00095311

Structural Information

Molecular Formula
C35H72O10
SMILES
CCCCCCCCCCCCCCCOCC(C)OCC(C)OCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C35H72O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-43-32-34(2)45-33-35(3)44-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-17-36/h34-36H,4-33H2,1-3H3
InChIKey
MVSUGVPUEPIRHB-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]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

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.519876 274.3
[M+Na]+ 675.501818 274.5
[M-H]- 651.505324 260.4
[M+NH4]+ 670.546423 277.7
[M+K]+ 691.475758 275.5
[M+H-H2O]+ 635.509860 274.5
[M+HCOO]- 697.510801 276.9
[M+CH3COO]- 711.526451 268.2
[M+Na-2H]- 673.487266 254.3
[M]+ 652.51205142 275.3
[M]- 652.51314858 275.3
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

No patent data available for this compound.