CID 44256516

11-chloro-8e,10e-undecadien-1-ol

Structural Information

Molecular Formula
C11H19ClO
SMILES
C(CCC/C=C/C=C/Cl)CCCO
InChI
InChI=1S/C11H19ClO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h4,6,8,10,13H,1-3,5,7,9,11H2/b6-4+,10-8+
InChIKey
DCAPJKJJDGWZRB-ONNLMXTPSA-N
Compound name
(8E,10E)-11-chloroundeca-8,10-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.11244 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11972 148.5
[M+Na]+ 225.10166 154.8
[M-H]- 201.10516 146.5
[M+NH4]+ 220.14626 168.1
[M+K]+ 241.07560 149.4
[M+H-H2O]+ 185.10970 144.5
[M+HCOO]- 247.11064 165.4
[M+CH3COO]- 261.12629 182.4
[M+Na-2H]- 223.08711 152.1
[M]+ 202.11189 151.4
[M]- 202.11299 151.4
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