CID 162413551

7,12-dimethyl-oxacyclododecan-2-one

Structural Information

Molecular Formula
C13H24O2
SMILES
CC1CCCCC(OC(=O)CCCC1)C
InChI
InChI=1S/C13H24O2/c1-11-7-3-5-9-12(2)15-13(14)10-6-4-8-11/h11-12H,3-10H2,1-2H3
InChIKey
FURGAOKUJKJCDL-UHFFFAOYSA-N
Compound name
7,12-dimethyl-oxacyclododecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 148.6
[M+Na]+ 235.16685 152.4
[M-H]- 211.17035 149.8
[M+NH4]+ 230.21145 163.4
[M+K]+ 251.14079 152.9
[M+H-H2O]+ 195.17489 146.2
[M+HCOO]- 257.17583 164.6
[M+CH3COO]- 271.19148 182.1
[M+Na-2H]- 233.15230 150.0
[M]+ 212.17708 140.9
[M]- 212.17818 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.