CID 87656835

Tetradeca-4,6-diene-8,10,12-triyne-1-ol

Structural Information

Molecular Formula
C14H14O2
SMILES
CC#CC#CC#C/C=C/C1C(O1)CCCO
InChI
InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-10-13-14(16-13)11-9-12-15/h8,10,13-15H,9,11-12H2,1H3/b10-8+
InChIKey
CYDWHOCCNIFEEG-CSKARUKUSA-N
Compound name
3-[3-[(E)-non-1-en-3,5,7-triynyl]oxiran-2-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 189.1
[M+Na]+ 237.08860 193.9
[M+NH4]+ 232.13320 187.6
[M+K]+ 253.06254 186.1
[M-H]- 213.09210 181.7
[M+Na-2H]- 235.07405 185.6
[M]+ 214.09883 187.0
[M]- 214.09993 187.0
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