CID 13619557

18202-11-4

Structural Information

Molecular Formula
C13H24O
SMILES
C#CCCCCCCCCCCCO
InChI
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h1,14H,3-13H2
InChIKey
XDKDILSPAPQFEA-UHFFFAOYSA-N
Compound name
tridec-12-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

196.18271 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 145.5
[M+Na]+ 219.171928 152.3
[M-H]- 195.175434 143.1
[M+NH4]+ 214.216533 162.5
[M+K]+ 235.145868 148.8
[M+H-H2O]+ 179.179970 134.5
[M+HCOO]- 241.180911 160.8
[M+CH3COO]- 255.196561 193.7
[M+Na-2H]- 217.157376 148.5
[M]+ 196.18216142 143.0
[M]- 196.18325858 143.0
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