CID 53432304

Oxacycloheptadec-11-en-2-one

Structural Information

Molecular Formula
C16H28O2
SMILES
C1CCCCC(=O)OCCCCCC=CCCC1
InChI
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h3,5H,1-2,4,6-15H2
InChIKey
MJBVGUVEKHRPDM-UHFFFAOYSA-N
Compound name
1-oxacycloheptadec-11-en-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

59
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 159.8
[M+Na]+ 275.19814 160.1
[M-H]- 251.20164 161.1
[M+NH4]+ 270.24274 171.5
[M+K]+ 291.17208 160.2
[M+H-H2O]+ 235.20618 156.6
[M+HCOO]- 297.20712 173.9
[M+CH3COO]- 311.22277 183.5
[M+Na-2H]- 273.18359 160.9
[M]+ 252.20837 147.6
[M]- 252.20947 147.6
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