CID 6365389

Cyclopentadec-4-en-1-one

Structural Information

Molecular Formula
C15H26O
SMILES
C1CCCCCC(=O)CC/C=C\CCCC1
InChI
InChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h7,9H,1-6,8,10-14H2/b9-7-
InChIKey
JIYIHILAGIZIMD-CLFYSBASSA-N
Compound name
(4Z)-cyclopentadec-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1218
Patents

222.19836 Da
Monoisotopic Mass

5.2
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

literature stripe

Patent stripe

patents stripe