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 154.7
[M+Na]+ 237.08860 169.7
[M-H]- 213.09210 161.0
[M+NH4]+ 232.13320 162.8
[M+K]+ 253.06254 162.0
[M+H-H2O]+ 197.09664 147.0
[M+HCOO]- 259.09758 160.3
[M+CH3COO]- 273.11323 230.2
[M+Na-2H]- 235.07405 156.7
[M]+ 214.09883 151.8
[M]- 214.09993 151.8
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