CID 5283339

Trans,trans-2,4-nonadienal

Structural Information

Molecular Formula
C9H14O
SMILES
CCCC/C=C/C=C/C=O
InChI
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+
InChIKey
ZHHYXNZJDGDGPJ-BSWSSELBSA-N
Compound name
(2E,4E)-nona-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

42
References

3445
Patents

138.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 132.6
[M+Na]+ 161.09368 143.3
[M+NH4]+ 156.13828 140.2
[M+K]+ 177.06762 135.8
[M-H]- 137.09718 132.0
[M+Na-2H]- 159.07913 136.2
[M]+ 138.10391 133.7
[M]- 138.10501 133.7
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