CID 12597933

2,2-dimethyl-1,4,7,10-tetraoxacyclododecane

Structural Information

Molecular Formula
C10H20O4
SMILES
CC1(COCCOCCOCCO1)C
InChI
InChI=1S/C10H20O4/c1-10(2)9-13-6-5-11-3-4-12-7-8-14-10/h3-9H2,1-2H3
InChIKey
QKGREUBKUYOBTR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,4,7,10-tetraoxacyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.13615 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.143426 144.7
[M+Na]+ 227.125368 148.7
[M-H]- 203.128874 147.8
[M+NH4]+ 222.169973 157.2
[M+K]+ 243.099308 154.5
[M+H-H2O]+ 187.133410 143.3
[M+HCOO]- 249.134351 158.9
[M+CH3COO]- 263.150001 176.6
[M+Na-2H]- 225.110816 152.7
[M]+ 204.13560142 141.0
[M]- 204.13669858 141.0
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.