CID 235414

Oxacyclohexadecan-2-one

Structural Information

Molecular Formula
C15H28O2
SMILES
C1CCCCCCCOC(=O)CCCCCC1
InChI
InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2
InChIKey
FKUPPRZPSYCDRS-UHFFFAOYSA-N
Compound name
oxacyclohexadecan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

22
References

15797
Patents

240.20892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 157.6
[M+Na]+ 263.19814 157.5
[M-H]- 239.20164 158.5
[M+NH4]+ 258.24274 169.9
[M+K]+ 279.17208 158.0
[M+H-H2O]+ 223.20618 154.5
[M+HCOO]- 285.20712 171.0
[M+CH3COO]- 299.22277 181.9
[M+Na-2H]- 261.18359 158.4
[M]+ 240.20837 144.9
[M]- 240.20947 144.9
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