CID 202868

13434-19-0

Structural Information

Molecular Formula
C10H12NO
SMILES
C#CC[N+]1=CC=CC=C1CCO
InChI
InChI=1S/C10H12NO/c1-2-7-11-8-4-3-5-10(11)6-9-12/h1,3-5,8,12H,6-7,9H2/q+1
InChIKey
LBBPELADFDSWRW-UHFFFAOYSA-N
Compound name
2-(1-prop-2-ynylpyridin-1-ium-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.09189 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09917 136.8
[M+Na]+ 185.08111 146.7
[M-H]- 161.08461 136.6
[M+NH4]+ 180.12571 153.3
[M+K]+ 201.05505 137.6
[M+H-H2O]+ 145.08915 127.1
[M+HCOO]- 207.09009 152.6
[M+CH3COO]- 221.10574 178.6
[M+Na-2H]- 183.06656 144.1
[M]+ 162.09134 130.3
[M]- 162.09244 130.3
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.