CID 131751101

Beta-triticene

Structural Information

Molecular Formula
C15H26O
SMILES
CCCCCCCCCC/C=C/C=C\C=O
InChI
InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h11-15H,2-10H2,1H3/b12-11+,14-13-
InChIKey
WJGSBYJVUWVJLB-WCYNZMGESA-N
Compound name
(2Z,4E)-pentadeca-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 158.4
[M+Na]+ 245.187578 163.0
[M-H]- 221.191084 157.2
[M+NH4]+ 240.232183 177.0
[M+K]+ 261.161518 159.1
[M+H-H2O]+ 205.195620 152.6
[M+HCOO]- 267.196561 180.1
[M+CH3COO]- 281.212211 192.5
[M+Na-2H]- 243.173026 160.8
[M]+ 222.19781142 162.4
[M]- 222.19890858 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.