CID 543863

3-ethyl-2,5-dimethylhex-3-ene

Structural Information

Molecular Formula
C10H20
SMILES
CCC(=CC(C)C)C(C)C
InChI
InChI=1S/C10H20/c1-6-10(9(4)5)7-8(2)3/h7-9H,6H2,1-5H3
InChIKey
LTFIBGYQLWKTKK-UHFFFAOYSA-N
Compound name
3-ethyl-2,5-dimethylhex-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

140.1565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 135.9
[M+Na]+ 163.145718 141.3
[M-H]- 139.149224 136.0
[M+NH4]+ 158.190323 157.9
[M+K]+ 179.119658 140.9
[M+H-H2O]+ 123.153760 131.5
[M+HCOO]- 185.154701 155.7
[M+CH3COO]- 199.170351 180.5
[M+Na-2H]- 161.131166 137.3
[M]+ 140.15595142 136.0
[M]- 140.15704858 136.0
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