CID 521755

(e,e)-2,4-nonadiene

Structural Information

Molecular Formula
C9H16
SMILES
CCCCC=CC=CC
InChI
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3
InChIKey
HKEBYUNPANBGPL-UHFFFAOYSA-N
Compound name
nona-2,4-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

935
Patents

124.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 129.2
[M+Na]+ 147.11442 136.0
[M-H]- 123.11792 129.3
[M+NH4]+ 142.15902 152.0
[M+K]+ 163.08836 134.1
[M+H-H2O]+ 107.12246 124.9
[M+HCOO]- 169.12340 152.5
[M+CH3COO]- 183.13905 173.3
[M+Na-2H]- 145.09987 135.0
[M]+ 124.12465 130.2
[M]- 124.12575 130.2
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