CID 58760554

6-ethynyl-4-methylpyridin-3-amine hydrochloride

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=CC(=NC=C1N)C#C
InChI
InChI=1S/C8H8N2/c1-3-7-4-6(2)8(9)5-10-7/h1,4-5H,9H2,2H3
InChIKey
JKHZEFLBVJOMKM-UHFFFAOYSA-N
Compound name
6-ethynyl-4-methylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

132.06874 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 127.3
[M+Na]+ 155.057958 138.3
[M-H]- 131.061464 128.0
[M+NH4]+ 150.102563 145.4
[M+K]+ 171.031898 134.7
[M+H-H2O]+ 115.066000 115.2
[M+HCOO]- 177.066941 145.3
[M+CH3COO]- 191.082591 184.3
[M+Na-2H]- 153.043406 132.8
[M]+ 132.06819142 120.3
[M]- 132.06928858 120.3
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.