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
1
Annotation Hits

0
References

12
Patents

222.19836 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 153.2
[M+Na]+ 245.18758 154.3
[M-H]- 221.19108 153.6
[M+NH4]+ 240.23218 167.8
[M+K]+ 261.16152 153.0
[M+H-H2O]+ 205.19562 150.0
[M+HCOO]- 267.19656 169.2
[M+CH3COO]- 281.21221 180.5
[M+Na-2H]- 243.17303 154.2
[M]+ 222.19781 141.1
[M]- 222.19891 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