CID 5283362

2,4,6,8,10-dodecapentaenal

Structural Information

Molecular Formula
C12H14O
SMILES
C/C=C/C=C/C=C/C=C/C=C/C=O
InChI
InChI=1S/C12H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+
InChIKey
NLPJEWTYXLOFLM-GNUNTXLASA-N
Compound name
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

174.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 140.0
[M+Na]+ 197.093678 147.0
[M-H]- 173.097184 139.7
[M+NH4]+ 192.138283 160.6
[M+K]+ 213.067618 142.2
[M+H-H2O]+ 157.101720 135.3
[M+HCOO]- 219.102661 163.5
[M+CH3COO]- 233.118311 178.7
[M+Na-2H]- 195.079126 144.3
[M]+ 174.10391142 140.6
[M]- 174.10500858 140.6
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