CID 166406

3-dodecyldihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCCCCCCCCCC1CCOC1=O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-18-16(15)17/h15H,2-14H2,1H3
InChIKey
CKVQBYJDENROIT-UHFFFAOYSA-N
Compound name
3-dodecyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

254.22458 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 167.4
[M+Na]+ 277.21380 170.9
[M-H]- 253.21730 169.7
[M+NH4]+ 272.25840 184.9
[M+K]+ 293.18774 169.0
[M+H-H2O]+ 237.22184 161.0
[M+HCOO]- 299.22278 187.0
[M+CH3COO]- 313.23843 197.5
[M+Na-2H]- 275.19925 167.8
[M]+ 254.22403 170.8
[M]- 254.22513 170.8
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