CID 6433089

1,3-undecadien-5-yne

Structural Information

Molecular Formula
C11H16
SMILES
CCCCCC#C/C=C/C=C
InChI
InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7H,1,4,6,8,10H2,2H3/b7-5+
InChIKey
VJCOQIJZYGQPKM-FNORWQNLSA-N
Compound name
(3E)-undeca-1,3-dien-5-yne
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

130
Patents

148.1252 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13248 133.8
[M+Na]+ 171.11442 142.6
[M-H]- 147.11792 133.3
[M+NH4]+ 166.15902 153.4
[M+K]+ 187.08836 138.8
[M+H-H2O]+ 131.12246 123.4
[M+HCOO]- 193.12340 151.2
[M+CH3COO]- 207.13905 185.7
[M+Na-2H]- 169.09987 138.2
[M]+ 148.12465 129.7
[M]- 148.12575 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.