CID 11108150

Virol c

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCC[C@@H](/C=C/C#CC#CCCCO)O
InChI
InChI=1S/C17H26O2/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18/h12,15,17-19H,2-4,8,10-11,13-14,16H2,1H3/b15-12+/t17-/m0/s1
InChIKey
XOENZUAFVYYLIG-VMEIHUARSA-N
Compound name
(E,10S)-heptadec-8-en-4,6-diyne-1,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

262.19327 Da
Monoisotopic Mass

4.2
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