CID 5362688

Trans-5-dodecenal

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCCCCC/C=C/CCCC=O

InChI

InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,12H,2-6,9-11H2,1H3/b8-7+

InChIKey

MXYKXSMSECVABY-BQYQJAHWSA-N

Compound name

(E)-dodec-5-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 92
Patents: 182.16707 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.17435	146.3
[M+Na]+	205.15629	156.4
[M+NH4]+	200.20089	153.7
[M+K]+	221.13023	148.3
[M-H]-	181.15979	145.8
[M+Na-2H]-	203.14174	149.3
[M]+	182.16652	147.4
[M]-	182.16762	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe