CID 6428982

Oxacyclononadec-10-en-2-one

Structural Information

Molecular Formula
C18H32O2
SMILES
C1CCCCOC(=O)CCCCCCC/C=C\CCC1
InChI
InChI=1S/C18H32O2/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-18/h1-2H,3-17H2/b2-1-
InChIKey
GODWWTDBDJRXIU-UPHRSURJSA-N
Compound name
(10Z)-1-oxacyclononadec-10-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.24023 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.24751 167.9
[M+Na]+ 303.22945 166.8
[M-H]- 279.23295 169.3
[M+NH4]+ 298.27405 178.1
[M+K]+ 319.20339 166.6
[M+H-H2O]+ 263.23749 164.5
[M+HCOO]- 325.23843 180.4
[M+CH3COO]- 339.25408 187.5
[M+Na-2H]- 301.21490 167.6
[M]+ 280.23968 154.0
[M]- 280.24078 154.0
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