CID 54272587

Tridec-5-enal

Structural Information

Molecular Formula
C13H24O
SMILES
CCCCCCCC=CCCCC=O
InChI
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-9,13H,2-7,10-12H2,1H3
InChIKey
DBNIGMYKSMMBSB-UHFFFAOYSA-N
Compound name
tridec-5-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

196.18271 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 150.8
[M+Na]+ 219.17193 155.8
[M-H]- 195.17543 149.9
[M+NH4]+ 214.21653 170.5
[M+K]+ 235.14587 153.1
[M+H-H2O]+ 179.17997 145.3
[M+HCOO]- 241.18091 173.0
[M+CH3COO]- 255.19656 188.0
[M+Na-2H]- 217.15738 154.3
[M]+ 196.18216 154.8
[M]- 196.18326 154.8
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