CID 6455190

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

Structural Information

Molecular Formula
C16H32O5
SMILES
CCCCCCC1COCCOCCOCCOCCO1
InChI
InChI=1S/C16H32O5/c1-2-3-4-5-6-16-15-20-12-11-18-8-7-17-9-10-19-13-14-21-16/h16H,2-15H2,1H3
InChIKey
RANNPNXRABIJJU-UHFFFAOYSA-N
Compound name
2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

304.22498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.232256 176.2
[M+Na]+ 327.214198 176.2
[M-H]- 303.217704 179.2
[M+NH4]+ 322.258803 180.8
[M+K]+ 343.188138 181.6
[M+H-H2O]+ 287.222240 173.4
[M+HCOO]- 349.223181 186.3
[M+CH3COO]- 363.238831 194.7
[M+Na-2H]- 325.199646 179.9
[M]+ 304.22443142 172.7
[M]- 304.22552858 172.7
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