CID 11687471

5-ethyl-2-pentadecen-4-one

Structural Information

Molecular Formula
C17H32O
SMILES
CCCCCCCCCCC(CC)C(=O)/C=C/C
InChI
InChI=1S/C17H32O/c1-4-7-8-9-10-11-12-13-15-16(6-3)17(18)14-5-2/h5,14,16H,4,6-13,15H2,1-3H3/b14-5+
InChIKey
OZIVVSOLXDKYGS-LHHJGKSTSA-N
Compound name
(E)-5-ethylpentadec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.24532 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.25260 170.3
[M+Na]+ 275.23454 173.2
[M-H]- 251.23804 168.8
[M+NH4]+ 270.27914 187.6
[M+K]+ 291.20848 170.3
[M+H-H2O]+ 235.24258 164.2
[M+HCOO]- 297.24352 189.1
[M+CH3COO]- 311.25917 201.6
[M+Na-2H]- 273.21999 169.0
[M]+ 252.24477 174.4
[M]- 252.24587 174.4
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

No patent data available for this compound.