CID 123385

2,4-dimethyl-1-heptene

Structural Information

Molecular Formula
C9H18
SMILES
CCCC(C)CC(=C)C
InChI
InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKey
CZGAOHSMVSIJJZ-UHFFFAOYSA-N
Compound name
2,4-dimethylhept-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

841
Patents

126.140854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 131.2
[M+Na]+ 149.13007 137.1
[M-H]- 125.13358 131.3
[M+NH4]+ 144.17468 153.6
[M+K]+ 165.10401 136.5
[M+H-H2O]+ 109.13811 126.8
[M+HCOO]- 171.13906 152.2
[M+CH3COO]- 185.15470 177.2
[M+Na-2H]- 147.11552 134.4
[M]+ 126.14031 131.6
[M]- 126.14140 131.6
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

patents stripe