CID 10753985

Virol b

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCC/C=C\[C@@H](C#CC#CCCCO)O
InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1
InChIKey
OZXJUTMPBYVTKB-IFCKCIONSA-N
Compound name
(Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

262.19327 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 168.0
[M+Na]+ 285.18249 175.1
[M-H]- 261.18599 166.5
[M+NH4]+ 280.22709 178.5
[M+K]+ 301.15643 170.1
[M+H-H2O]+ 245.19053 154.4
[M+HCOO]- 307.19147 174.2
[M+CH3COO]- 321.20712 215.7
[M+Na-2H]- 283.16794 166.2
[M]+ 262.19272 160.9
[M]- 262.19382 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe