CID 74890239

4-ethynyl-n-methylpyridin-2-amine

Structural Information

Molecular Formula
C8H8N2
SMILES
CNC1=NC=CC(=C1)C#C
InChI
InChI=1S/C8H8N2/c1-3-7-4-5-10-8(6-7)9-2/h1,4-6H,2H3,(H,9,10)
InChIKey
QQFOHRYTTREWLV-UHFFFAOYSA-N
Compound name
4-ethynyl-N-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

132.06874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 126.6
[M+Na]+ 155.057958 136.8
[M-H]- 131.061464 127.4
[M+NH4]+ 150.102563 144.7
[M+K]+ 171.031898 133.4
[M+H-H2O]+ 115.066000 114.2
[M+HCOO]- 177.066941 145.2
[M+CH3COO]- 191.082591 184.0
[M+Na-2H]- 153.043406 133.8
[M]+ 132.06819142 120.2
[M]- 132.06928858 120.2
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