CID 110976

Tetrahydro-6-undecyl-2h-pyran-2-one

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCCCCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h15H,2-14H2,1H3
InChIKey
ZMJKQSSFLIFELJ-UHFFFAOYSA-N
Compound name
6-undecyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

235
Patents

254.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 166.4
[M+Na]+ 277.21380 168.9
[M-H]- 253.21730 168.5
[M+NH4]+ 272.25840 182.1
[M+K]+ 293.18774 167.3
[M+H-H2O]+ 237.22184 159.5
[M+HCOO]- 299.22278 184.0
[M+CH3COO]- 313.23843 197.9
[M+Na-2H]- 275.19925 168.1
[M]+ 254.22403 167.7
[M]- 254.22513 167.7
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