CID 44146733

Oxacyclohexadec-14-en-2-one

Structural Information

Molecular Formula
C15H26O2
SMILES
C1CCCCC/C=C/COC(=O)CCCCC1
InChI
InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h10,12H,1-9,11,13-14H2/b12-10+
InChIKey
PSFKNEZPTNSWPX-ZRDIBKRKSA-N
Compound name
(14E)-1-oxacyclohexadec-14-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 155.6
[M+Na]+ 261.18250 156.6
[M-H]- 237.18600 156.9
[M+NH4]+ 256.22710 168.1
[M+K]+ 277.15644 156.9
[M+H-H2O]+ 221.19054 152.6
[M+HCOO]- 283.19148 170.5
[M+CH3COO]- 297.20713 181.5
[M+Na-2H]- 259.16795 157.5
[M]+ 238.19273 144.4
[M]- 238.19383 144.4
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

No patent data available for this compound.