CID 175158

8-cyclopentadecen-1-one

Structural Information

Molecular Formula
C15H26O
SMILES
C1CCCC(=O)CCCCCCC=CCC1
InChI
InChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-2H,3-14H2
InChIKey
KUZFTOAYXWRQAA-UHFFFAOYSA-N
Compound name
cyclopentadec-8-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

222.19836 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 153.2
[M+Na]+ 245.187578 154.3
[M-H]- 221.191084 153.6
[M+NH4]+ 240.232183 167.8
[M+K]+ 261.161518 153.0
[M+H-H2O]+ 205.195620 150.0
[M+HCOO]- 267.196561 169.2
[M+CH3COO]- 281.212211 180.5
[M+Na-2H]- 243.173026 154.2
[M]+ 222.19781142 141.1
[M]- 222.19890858 141.1
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