CID 4523449

3-pentadecylcyclohexanone

Structural Information

Molecular Formula
C21H40O
SMILES
CCCCCCCCCCCCCCCC1CCCC(=O)C1
InChI
InChI=1S/C21H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h20H,2-19H2,1H3
InChIKey
WHOBFGJNSZKKOY-UHFFFAOYSA-N
Compound name
3-pentadecylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

308.30792 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.31520 185.2
[M+Na]+ 331.29714 185.6
[M-H]- 307.30064 185.6
[M+NH4]+ 326.34174 200.0
[M+K]+ 347.27108 181.2
[M+H-H2O]+ 291.30518 177.5
[M+HCOO]- 353.30612 201.7
[M+CH3COO]- 367.32177 211.0
[M+Na-2H]- 329.28259 183.2
[M]+ 308.30737 186.3
[M]- 308.30847 186.3
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