CID 3591866

7779-50-2

Structural Information

Molecular Formula
C16H28O2
SMILES
C1CCCCC=CCCCCC(=O)OCCCC1
InChI
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2
InChIKey
HMWPDRYGIBLSHB-UHFFFAOYSA-N
Compound name
1-oxacycloheptadec-7-en-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

280
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

No literature data available for this compound.

Patent stripe

patents stripe