CID 55285938

5-ethynyl-6-methylpyridin-2-amine

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=C(C=CC(=N1)N)C#C
InChI
InChI=1S/C8H8N2/c1-3-7-4-5-8(9)10-6(7)2/h1,4-5H,2H3,(H2,9,10)
InChIKey
ODIWBJZDPLVTSE-UHFFFAOYSA-N
Compound name
5-ethynyl-6-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

132.06874 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 127.3
[M+Na]+ 155.05796 138.3
[M-H]- 131.06146 128.0
[M+NH4]+ 150.10256 145.4
[M+K]+ 171.03190 134.7
[M+H-H2O]+ 115.06600 115.2
[M+HCOO]- 177.06694 145.3
[M+CH3COO]- 191.08259 184.3
[M+Na-2H]- 153.04341 132.8
[M]+ 132.06819 120.3
[M]- 132.06929 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

patents stripe