CID 18006184

2-methyl-1,4-dioxacyclohexadecane-5,16-dione

Structural Information

Molecular Formula
C15H26O4
SMILES
CC1COC(=O)CCCCCCCCCCC(=O)O1
InChI
InChI=1S/C15H26O4/c1-13-12-18-14(16)10-8-6-4-2-3-5-7-9-11-15(17)19-13/h13H,2-12H2,1H3
InChIKey
RCOKMWAKYZDWAA-UHFFFAOYSA-N
Compound name
2-methyl-1,4-dioxacyclohexadecane-5,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

270.1831 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.190376 162.0
[M+Na]+ 293.172318 164.3
[M-H]- 269.175824 164.4
[M+NH4]+ 288.216923 172.3
[M+K]+ 309.146258 165.9
[M+H-H2O]+ 253.180360 159.5
[M+HCOO]- 315.181301 175.2
[M+CH3COO]- 329.196951 187.7
[M+Na-2H]- 291.157766 162.7
[M]+ 270.18255142 153.0
[M]- 270.18364858 153.0
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

patents stripe