CID 12410118

Oxacyclohexadecen-2-one

Structural Information

Molecular Formula
C15H26O2
SMILES
C1CCCCCCOC(=O)/C=C/CCCCC1
InChI
InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h11,13H,1-10,12,14H2/b13-11+
InChIKey
KHLFMZDGADSQGR-ACCUITESSA-N
Compound name
(3E)-1-oxacyclohexadec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4906
Patents

238.19328 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 155.6
[M+Na]+ 261.182498 156.6
[M-H]- 237.186004 156.9
[M+NH4]+ 256.227103 168.1
[M+K]+ 277.156438 156.9
[M+H-H2O]+ 221.190540 152.6
[M+HCOO]- 283.191481 170.5
[M+CH3COO]- 297.207131 181.5
[M+Na-2H]- 259.167946 157.5
[M]+ 238.19273142 144.4
[M]- 238.19382858 144.4
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