CID 1550884

Alpha-hexylcinnamaldehyde

Structural Information

Molecular Formula
C15H20O
SMILES
CCCCCC/C(=C\C1=CC=CC=C1)/C=O
InChI
InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
InChIKey
GUUHFMWKWLOQMM-NTCAYCPXSA-N
Compound name
(2E)-2-benzylideneoctanal
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

70
References

21042
Patents

216.15141 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.158686 152.8
[M+Na]+ 239.140628 158.1
[M-H]- 215.144134 155.4
[M+NH4]+ 234.185233 171.3
[M+K]+ 255.114568 154.5
[M+H-H2O]+ 199.148670 146.3
[M+HCOO]- 261.149611 175.0
[M+CH3COO]- 275.165261 190.0
[M+Na-2H]- 237.126076 156.6
[M]+ 216.15086142 154.2
[M]- 216.15195858 154.2
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