CID 10409

Cyclopentadecanone

Structural Information

Molecular Formula
C15H28O
SMILES
C1CCCCCCCC(=O)CCCCCC1
InChI
InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
InChIKey
OSOIQJGOYGSIMF-UHFFFAOYSA-N
Compound name
cyclopentadecanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

5565
Patents

224.21402 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 155.3
[M+Na]+ 247.20324 155.3
[M-H]- 223.20674 155.3
[M+NH4]+ 242.24784 169.6
[M+K]+ 263.17718 154.3
[M+H-H2O]+ 207.21128 152.1
[M+HCOO]- 269.21222 169.8
[M+CH3COO]- 283.22787 180.9
[M+Na-2H]- 245.18869 155.2
[M]+ 224.21347 141.7
[M]- 224.21457 141.7
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

No patent data available for this compound.