CID 6445069

Cunaniol

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
2
Annotation Hits

1
References

0
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 162.9
[M+Na]+ 237.08860 171.1
[M-H]- 213.09210 165.8
[M+NH4]+ 232.13320 170.0
[M+K]+ 253.06254 166.0
[M+H-H2O]+ 197.09664 151.3
[M+HCOO]- 259.09758 164.6
[M+CH3COO]- 273.11323 228.4
[M+Na-2H]- 235.07405 161.4
[M]+ 214.09883 154.0
[M]- 214.09993 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

No patent data available for this compound.