CID 2759257

2,4-heptadecadiyn-1-ol

Structural Information

Molecular Formula
C17H28O
SMILES
CCCCCCCCCCCCC#CC#CCO
InChI
InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-12,17H2,1H3
InChIKey
BCGQKHORGCDDRI-UHFFFAOYSA-N
Compound name
heptadeca-2,4-diyn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

248.21402 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 161.7
[M+Na]+ 271.203238 169.2
[M-H]- 247.206744 161.1
[M+NH4]+ 266.247843 173.2
[M+K]+ 287.177178 164.4
[M+H-H2O]+ 231.211280 148.2
[M+HCOO]- 293.212221 169.4
[M+CH3COO]- 307.227871 216.7
[M+Na-2H]- 269.188686 161.6
[M]+ 248.21347142 156.1
[M]- 248.21456858 156.1
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