CID 11855994

5-cyclotetradecen-1-one, 3-methyl-, (5z)-

Structural Information

Molecular Formula
C15H26O
SMILES
CC1C/C=C\CCCCCCCCC(=O)C1
InChI
InChI=1S/C15H26O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h7,9,14H,2-6,8,10-13H2,1H3/b9-7-
InChIKey
ZFGBKXBPHOUSJX-CLFYSBASSA-N
Compound name
(5Z)-3-methylcyclotetradec-5-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

352
Patents

222.19836 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 153.4
[M+Na]+ 245.18758 163.6
[M+NH4]+ 240.23218 161.4
[M+K]+ 261.16152 155.9
[M-H]- 221.19108 157.0
[M+Na-2H]- 243.17303 159.4
[M]+ 222.19781 155.4
[M]- 222.19891 155.4
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