CID 6450505

96446-43-4

Structural Information

Molecular Formula
C14H26O
SMILES
CCCC[C@@H](CC)/C=C/C(=O)CC(C)C
InChI
InChI=1S/C14H26O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h9-10,12-13H,5-8,11H2,1-4H3/b10-9+/t13-/m1/s1
InChIKey
QYAOIOBFYSRSLB-WTNCMQEWSA-N
Compound name
(E,7R)-7-ethyl-2-methylundec-5-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.19836 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 156.5
[M+Na]+ 233.187578 160.5
[M-H]- 209.191084 155.7
[M+NH4]+ 228.232183 175.5
[M+K]+ 249.161518 158.8
[M+H-H2O]+ 193.195620 151.1
[M+HCOO]- 255.196561 175.4
[M+CH3COO]- 269.212211 193.4
[M+Na-2H]- 231.173026 155.6
[M]+ 210.19781142 158.9
[M]- 210.19890858 158.9
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.