CID 44146108

1-tridecyn-3-ol, 3-methyl-

Structural Information

Molecular Formula
C14H26O
SMILES
CCCCCCCCCCC(C)(C#C)O
InChI
InChI=1S/C14H26O/c1-4-6-7-8-9-10-11-12-13-14(3,15)5-2/h2,15H,4,6-13H2,1,3H3
InChIKey
VRIOCRYNFBWGRF-UHFFFAOYSA-N
Compound name
3-methyltridec-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

150
Patents

210.19836 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 151.0
[M+Na]+ 233.18758 160.0
[M+NH4]+ 228.23218 154.5
[M+K]+ 249.16152 150.7
[M-H]- 209.19108 142.0
[M+Na-2H]- 231.17303 150.8
[M]+ 210.19781 148.9
[M]- 210.19891 148.9
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

patents stripe