CID 81745

7311-27-5

Structural Information

Molecular Formula
C23H40O5
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCO
InChI
InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)28-21-20-27-19-18-26-17-16-25-15-14-24/h10-13,24H,2-9,14-21H2,1H3
InChIKey
UTXPMECBRCEYCI-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1122
Patents

396.28757 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.29485 202.3
[M+Na]+ 419.27679 203.6
[M-H]- 395.28029 201.8
[M+NH4]+ 414.32139 212.6
[M+K]+ 435.25073 200.2
[M+H-H2O]+ 379.28483 193.1
[M+HCOO]- 441.28577 221.6
[M+CH3COO]- 455.30142 221.5
[M+Na-2H]- 417.26224 201.9
[M]+ 396.28702 212.9
[M]- 396.28812 212.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe