CID 102360

2-pentyl-2-nonenal

Structural Information

Molecular Formula
C14H26O
SMILES
CCCCCCC=C(CCCCC)C=O
InChI
InChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3
InChIKey
VIKQYIINCNAGJW-UHFFFAOYSA-N
Compound name
2-pentylnon-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

210.19836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 155.5
[M+Na]+ 233.18758 164.8
[M+NH4]+ 228.23218 162.4
[M+K]+ 249.16152 157.1
[M-H]- 209.19108 154.7
[M+Na-2H]- 231.17303 157.6
[M]+ 210.19781 156.4
[M]- 210.19891 156.4
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

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