CID 139596820

Ns00095310

Structural Information

Molecular Formula
C32H66O9
SMILES
CCCCCCCCCCCCCCCOCC(C)OCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C32H66O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-40-31-32(2)41-30-29-39-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-16-33/h32-33H,3-31H2,1-2H3
InChIKey
QRMIPPFLVFKBNU-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(1-pentadecoxypropan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.4707 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.477976 260.2
[M+Na]+ 617.459918 260.9
[M-H]- 593.463424 245.3
[M+NH4]+ 612.504523 261.3
[M+K]+ 633.433858 260.4
[M+H-H2O]+ 577.467960 260.0
[M+HCOO]- 639.468901 266.4
[M+CH3COO]- 653.484551 257.8
[M+Na-2H]- 615.445366 241.3
[M]+ 594.47015142 260.6
[M]- 594.47124858 260.6
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.