CID 53930276

1,3,5,7-undecatetraene

Structural Information

Molecular Formula
C11H16
SMILES
CCCC=CC=CC=CC=C
InChI
InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7-11H,1,4,6H2,2H3
InChIKey
IQQBFWHNQBNSSQ-UHFFFAOYSA-N
Compound name
undeca-1,3,5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

148.1252 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.132476 135.2
[M+Na]+ 171.114418 141.8
[M-H]- 147.117924 135.0
[M+NH4]+ 166.159023 156.9
[M+K]+ 187.088358 138.1
[M+H-H2O]+ 131.122460 130.7
[M+HCOO]- 193.123401 158.3
[M+CH3COO]- 207.139051 176.9
[M+Na-2H]- 169.099866 140.0
[M]+ 148.12465142 135.4
[M]- 148.12574858 135.4
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

patents stripe