CID 5283372

5,10-pentadecadienal

Structural Information

Molecular Formula
C15H26O
SMILES
CCCC/C=C/CCC/C=C/CCCC=O
InChI
InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3/b6-5+,11-10+
InChIKey
QVECBYWMAHQYNQ-RINXSNKBSA-N
Compound name
(5E,10E)-pentadeca-5,10-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 158.4
[M+Na]+ 245.18758 163.0
[M-H]- 221.19108 157.2
[M+NH4]+ 240.23218 177.0
[M+K]+ 261.16152 159.1
[M+H-H2O]+ 205.19562 152.6
[M+HCOO]- 267.19656 180.1
[M+CH3COO]- 281.21221 192.5
[M+Na-2H]- 243.17303 160.8
[M]+ 222.19781 162.4
[M]- 222.19891 162.4
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

No patent data available for this compound.