CID 168665

3,6,9,12,15-pentaoxaheptadecan-1-ol, 17-(nonylphenoxy)-

Structural Information

Molecular Formula
C27H48O7
SMILES
CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C27H48O7/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28/h9-10,12-13,28H,2-8,11,14-25H2,1H3
InChIKey
TWIMUEGVLWNOMO-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

484.34 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.34728 223.4
[M+Na]+ 507.32922 222.5
[M-H]- 483.33272 222.0
[M+NH4]+ 502.37382 229.8
[M+K]+ 523.30316 219.7
[M+H-H2O]+ 467.33726 212.9
[M+HCOO]- 529.33820 241.7
[M+CH3COO]- 543.35385 236.9
[M+Na-2H]- 505.31467 221.4
[M]+ 484.33945 238.3
[M]- 484.34055 238.3
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