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
3
Annotation Hits

0
References

625
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 152.8
[M+Na]+ 245.18758 155.2
[M-H]- 221.19108 153.5
[M+NH4]+ 240.23218 168.0
[M+K]+ 261.16152 153.9
[M+H-H2O]+ 205.19562 150.0
[M+HCOO]- 267.19656 169.4
[M+CH3COO]- 281.21221 182.5
[M+Na-2H]- 243.17303 153.5
[M]+ 222.19781 142.4
[M]- 222.19891 142.4
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