CID 13479201

2-decenal, 2-hexyl-, (2e)-

Structural Information

Molecular Formula
C16H30O
SMILES
CCCCCCC/C=C(\CCCCCC)/C=O
InChI
InChI=1S/C16H30O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h14-15H,3-13H2,1-2H3/b16-14+
InChIKey
RSBRHLFCWKXUSQ-JQIJEIRASA-N
Compound name
(E)-2-hexyldec-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

238.22966 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.236936 165.2
[M+Na]+ 261.218878 168.8
[M-H]- 237.222384 163.9
[M+NH4]+ 256.263483 183.1
[M+K]+ 277.192818 165.7
[M+H-H2O]+ 221.226920 159.2
[M+HCOO]- 283.227861 185.4
[M+CH3COO]- 297.243511 197.8
[M+Na-2H]- 259.204326 165.8
[M]+ 238.22911142 169.7
[M]- 238.23020858 169.7
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