CID 9856149

Oxacyclohexadec-12-en-2-one, (12e)-

Structural Information

Molecular Formula
C15H26O2
SMILES
C1CCCC/C=C/CCCOC(=O)CCCC1
InChI
InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h6,8H,1-5,7,9-14H2/b8-6+
InChIKey
ZYXGECMFJMLZNA-SOFGYWHQSA-N
Compound name
(12E)-1-oxacyclohexadec-12-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1302
Patents

238.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 156.0
[M+Na]+ 261.18250 165.6
[M+NH4]+ 256.22710 163.5
[M+K]+ 277.15644 158.8
[M-H]- 237.18600 160.9
[M+Na-2H]- 259.16795 161.7
[M]+ 238.19273 158.3
[M]- 238.19383 158.3
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