CID 87095629

16-iodo-2,5,8,11,14-pentaoxahexadecane

Structural Information

Molecular Formula
C11H23IO5
SMILES
COCCOCCOCCOCCOCCI
InChI
InChI=1S/C11H23IO5/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h2-11H2,1H3
InChIKey
WPAHNAZXLUHBBI-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

362.05902 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06630 177.5
[M+Na]+ 385.04824 175.1
[M-H]- 361.05174 169.8
[M+NH4]+ 380.09284 189.5
[M+K]+ 401.02218 181.2
[M+H-H2O]+ 345.05628 167.1
[M+HCOO]- 407.05722 195.1
[M+CH3COO]- 421.07287 202.6
[M+Na-2H]- 383.03369 168.4
[M]+ 362.05847 184.7
[M]- 362.05957 184.7
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

patents stripe