CID 202870

13434-20-3

Structural Information

Molecular Formula
C11H14NO
SMILES
C#CC[N+]1=CC=CC=C1CCCO
InChI
InChI=1S/C11H14NO/c1-2-8-12-9-4-3-6-11(12)7-5-10-13/h1,3-4,6,9,13H,5,7-8,10H2/q+1
InChIKey
SCARFVGEXGQBEM-UHFFFAOYSA-N
Compound name
3-(1-prop-2-ynylpyridin-1-ium-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10754 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11482 140.8
[M+Na]+ 199.09676 150.4
[M-H]- 175.10026 140.5
[M+NH4]+ 194.14136 156.8
[M+K]+ 215.07070 141.1
[M+H-H2O]+ 159.10480 131.0
[M+HCOO]- 221.10574 156.4
[M+CH3COO]- 235.12139 181.3
[M+Na-2H]- 197.08221 147.7
[M]+ 176.10699 134.7
[M]- 176.10809 134.7
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

No patent data available for this compound.