CID 94226

4-nonene

Structural Information

Molecular Formula
C9H18
SMILES
CCCCC=CCCC
InChI
InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3
InChIKey
KPADFPAILITQBG-UHFFFAOYSA-N
Compound name
non-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6805
Patents

126.140854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 130.7
[M+Na]+ 149.13007 137.1
[M-H]- 125.13358 130.7
[M+NH4]+ 144.17468 153.4
[M+K]+ 165.10401 135.8
[M+H-H2O]+ 109.13811 126.3
[M+HCOO]- 171.13906 153.8
[M+CH3COO]- 185.15470 175.0
[M+Na-2H]- 147.11552 136.5
[M]+ 126.14031 132.5
[M]- 126.14140 132.5
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