CID 11666320

7-ethyl-4-heptadecen-6-one

Structural Information

Molecular Formula
C19H36O
SMILES
CCCCCCCCCCC(CC)C(=O)/C=C/CCC
InChI
InChI=1S/C19H36O/c1-4-7-9-10-11-12-13-15-16-18(6-3)19(20)17-14-8-5-2/h14,17-18H,4-13,15-16H2,1-3H3/b17-14+
InChIKey
MQNYJGKKAZCXOA-SAPNQHFASA-N
Compound name
(E)-7-ethylheptadec-4-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.2766 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.28388 179.4
[M+Na]+ 303.26582 181.5
[M-H]- 279.26932 177.5
[M+NH4]+ 298.31042 195.6
[M+K]+ 319.23976 178.0
[M+H-H2O]+ 263.27386 172.9
[M+HCOO]- 325.27480 197.6
[M+CH3COO]- 339.29045 207.6
[M+Na-2H]- 301.25127 177.0
[M]+ 280.27605 184.3
[M]- 280.27715 184.3
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.