CID 10976419

(4e)-tridec-4-enal

Structural Information

Molecular Formula
C13H24O
SMILES
CCCCCCCC/C=C/CCC=O
InChI
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,13H,2-8,11-12H2,1H3/b10-9+
InChIKey
SMJHEMUFVYWLOU-MDZDMXLPSA-N
Compound name
(E)-tridec-4-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

196.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 150.8
[M+Na]+ 219.17193 160.6
[M+NH4]+ 214.21653 157.9
[M+K]+ 235.14587 152.3
[M-H]- 195.17543 150.2
[M+Na-2H]- 217.15738 153.5
[M]+ 196.18216 151.8
[M]- 196.18326 151.8
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