CID 6445069

2h-pyran-3-ol, tetrahydro-2-(1-nonene-3,5,7-triynyl)-, (e)-

Structural Information

Molecular Formula
C14H14O2
SMILES
CC#CC#CC#C/C=C\[C@@H]1[C@H](CCCO1)O
InChI
InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h8,11,13-15H,9-10,12H2,1H3/b11-8-/t13-,14+/m0/s1
InChIKey
WFJPISZWZQHNLX-OQXBOSRRSA-N
Compound name
(2R,3S)-2-[(Z)-non-1-en-3,5,7-triynyl]oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

214.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 162.9
[M+Na]+ 237.088598 171.1
[M-H]- 213.092104 165.8
[M+NH4]+ 232.133203 170.0
[M+K]+ 253.062538 166.0
[M+H-H2O]+ 197.096640 151.3
[M+HCOO]- 259.097581 164.6
[M+CH3COO]- 273.113231 228.4
[M+Na-2H]- 235.074046 161.4
[M]+ 214.09883142 154.0
[M]- 214.09992858 154.0
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