CID 6436339

Oxacyclohexadec-13-en-2-one, (13e)-

Structural Information

Molecular Formula
C15H26O2
SMILES
C1CCCCCC(=O)OCC/C=C/CCCC1
InChI
InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h8,10H,1-7,9,11-14H2/b10-8+
InChIKey
AGZBJJSLDGWKSU-CSKARUKUSA-N
Compound name
(13E)-1-oxacyclohexadec-13-en-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1614
Patents

238.19328 Da
Monoisotopic Mass

5.4
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

No literature data available for this compound.

Patent stripe

patents stripe