CID 5355293

Oxacycloheptadec-10-en-2-one

Structural Information

Molecular Formula
C16H28O2
SMILES
C1CCC/C=C\CCCCCCOC(=O)CCC1
InChI
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
InChIKey
QILMAYXCYBTEDM-IWQZZHSRSA-N
Compound name
(10Z)-1-oxacycloheptadec-10-en-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

3461
Patents

252.20892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 160.1
[M+Na]+ 275.19814 169.4
[M+NH4]+ 270.24274 167.5
[M+K]+ 291.17208 162.5
[M-H]- 251.20164 165.2
[M+Na-2H]- 273.18359 165.7
[M]+ 252.20837 162.4
[M]- 252.20947 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe