CID 139595389

Ns00095155

Structural Information

Molecular Formula
C32H66O9
SMILES
CC(C)(C)OCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C32H66O9/c1-32(2,3)41-18-15-13-11-9-7-5-4-6-8-10-12-14-17-34-20-22-36-24-26-38-28-30-40-31-29-39-27-25-37-23-21-35-19-16-33/h33H,4-31H2,1-3H3
InChIKey
IGBTVSJMXYTMCR-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[14-[(2-methylpropan-2-yl)oxy]tetradecoxy]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

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.477976 255.3
[M+Na]+ 617.459918 255.3
[M-H]- 593.463424 241.5
[M+NH4]+ 612.504523 256.3
[M+K]+ 633.433858 255.6
[M+H-H2O]+ 577.467960 252.8
[M+HCOO]- 639.468901 264.9
[M+CH3COO]- 653.484551 257.2
[M+Na-2H]- 615.445366 236.5
[M]+ 594.47015142 257.1
[M]- 594.47124858 257.1
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.