CID 5318011

1-heptadecene-4,6-diyne-3,9-diol

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCCCC(CC#CC#CC(C=C)O)O
InChI
InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3
InChIKey
WNSUMUNACHNURC-UHFFFAOYSA-N
Compound name
heptadec-1-en-4,6-diyne-3,9-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

262.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 178.3
[M+Na]+ 285.18249 184.2
[M+NH4]+ 280.22709 177.1
[M+K]+ 301.15643 174.3
[M-H]- 261.18599 164.8
[M+Na-2H]- 283.16794 173.5
[M]+ 262.19272 173.9
[M]- 262.19382 173.9
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