CID 6508615

1,10-heptadecadiene-5,7-diyn-3-ol, (e)-

Structural Information

Molecular Formula
C17H24O
SMILES
CCCCCC/C=C/CC#CC#CCC(C=C)O
InChI
InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-10,17-18H,2-3,5-8,11,16H2,1H3/b10-9+
InChIKey
FXXPOEXJAUWMMJ-MDZDMXLPSA-N
Compound name
(10E)-heptadeca-1,10-dien-5,7-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.18271 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 176.8
[M+Na]+ 267.17193 183.6
[M+NH4]+ 262.21653 176.1
[M+K]+ 283.14587 172.5
[M-H]- 243.17543 163.9
[M+Na-2H]- 265.15738 172.7
[M]+ 244.18216 172.7
[M]- 244.18326 172.7
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

patents stripe