CID 543385

15-hexadecanolide

Structural Information

Molecular Formula
C16H30O2
SMILES
CC1CCCCCCCCCCCCCC(=O)O1
InChI
InChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3
InChIKey
GILZFLFJYUGJLX-UHFFFAOYSA-N
Compound name
16-methyl-oxacyclohexadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

254.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 161.9
[M+Na]+ 277.213798 162.4
[M-H]- 253.217304 163.0
[M+NH4]+ 272.258403 174.0
[M+K]+ 293.187738 162.6
[M+H-H2O]+ 237.221840 158.9
[M+HCOO]- 299.222781 175.0
[M+CH3COO]- 313.238431 185.9
[M+Na-2H]- 275.199246 161.5
[M]+ 254.22403142 149.9
[M]- 254.22512858 149.9
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

patents stripe