CID 12597912

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

Structural Information

Molecular Formula
C12H24O5
SMILES
CC1(COCCOCCOCCOCCO1)C
InChI
InChI=1S/C12H24O5/c1-12(2)11-16-8-7-14-4-3-13-5-6-15-9-10-17-12/h3-11H2,1-2H3
InChIKey
DFAFZVPNKONQTA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16237 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.169646 157.4
[M+Na]+ 271.151588 159.9
[M-H]- 247.155094 161.5
[M+NH4]+ 266.196193 166.2
[M+K]+ 287.125528 166.8
[M+H-H2O]+ 231.159630 156.1
[M+HCOO]- 293.160571 168.8
[M+CH3COO]- 307.176221 182.6
[M+Na-2H]- 269.137036 164.4
[M]+ 248.16182142 152.9
[M]- 248.16291858 152.9
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

No patent data available for this compound.