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

162
Patents

148.1252 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.132476 133.8
[M+Na]+ 171.114418 142.6
[M-H]- 147.117924 133.3
[M+NH4]+ 166.159023 153.4
[M+K]+ 187.088358 138.8
[M+H-H2O]+ 131.122460 123.4
[M+HCOO]- 193.123401 151.2
[M+CH3COO]- 207.139051 185.7
[M+Na-2H]- 169.099866 138.2
[M]+ 148.12465142 129.7
[M]- 148.12574858 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

literature stripe

Patent stripe

patents stripe