CID 56936223

6z-heptadecen-2-one

Structural Information

Molecular Formula
C17H32O
SMILES
CCCCCCCCCC/C=C\CCCC(=O)C
InChI
InChI=1S/C17H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h12-13H,3-11,14-16H2,1-2H3/b13-12-
InChIKey
WDQVOICTNHEZPR-SEYXRHQNSA-N
Compound name
(Z)-heptadec-6-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.24532 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.25260 169.8
[M+Na]+ 275.23454 172.9
[M-H]- 251.23804 168.2
[M+NH4]+ 270.27914 187.1
[M+K]+ 291.20848 169.5
[M+H-H2O]+ 235.24258 163.6
[M+HCOO]- 297.24352 189.6
[M+CH3COO]- 311.25917 200.8
[M+Na-2H]- 273.21999 169.8
[M]+ 252.24477 174.6
[M]- 252.24587 174.6
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

No patent data available for this compound.