CID 7984

109-29-5

Structural Information

Molecular Formula
C16H30O2
SMILES
C1CCCCCCCC(=O)OCCCCCCC1
InChI
InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
InChIKey
LOKPJYNMYCVCRM-UHFFFAOYSA-N
Compound name
oxacycloheptadecan-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

5732
Patents

254.22458 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 161.7
[M+Na]+ 277.21380 161.0
[M-H]- 253.21730 162.7
[M+NH4]+ 272.25840 173.3
[M+K]+ 293.18774 161.3
[M+H-H2O]+ 237.22184 158.6
[M+HCOO]- 299.22278 174.4
[M+CH3COO]- 313.23843 183.9
[M+Na-2H]- 275.19925 161.8
[M]+ 254.22403 148.2
[M]- 254.22513 148.2
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