CID 12597911

2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane

Structural Information

Molecular Formula
C22H44O5
SMILES
CCCCCCCCCCCCC1COCCOCCOCCOCCO1
InChI
InChI=1S/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-21-26-18-17-24-14-13-23-15-16-25-19-20-27-22/h22H,2-21H2,1H3
InChIKey
DFWQSNWJMXKBJS-UHFFFAOYSA-N
Compound name
2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

388.31888 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.326156 203.1
[M+Na]+ 411.308098 200.6
[M-H]- 387.311604 204.8
[M+NH4]+ 406.352703 204.3
[M+K]+ 427.282038 204.5
[M+H-H2O]+ 371.316140 199.1
[M+HCOO]- 433.317081 211.2
[M+CH3COO]- 447.332731 212.0
[M+Na-2H]- 409.293546 203.5
[M]+ 388.31833142 201.5
[M]- 388.31942858 201.5
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