CID 11458763

Oxacyclopentadec-11-en-2-one

Structural Information

Molecular Formula
C14H24O2
SMILES
C1CCCCC(=O)OCCC/C=C/CCC1
InChI
InChI=1S/C14H24O2/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-14/h5,7H,1-4,6,8-13H2/b7-5+
InChIKey
YCLVXFHZYKOPCC-FNORWQNLSA-N
Compound name
(11E)-1-oxacyclopentadec-11-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.17763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 151.4
[M+Na]+ 247.166848 153.1
[M-H]- 223.170354 152.7
[M+NH4]+ 242.211453 164.6
[M+K]+ 263.140788 153.5
[M+H-H2O]+ 207.174890 148.5
[M+HCOO]- 269.175831 167.1
[M+CH3COO]- 283.191481 179.4
[M+Na-2H]- 245.152296 154.0
[M]+ 224.17708142 141.0
[M]- 224.17817858 141.0
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