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

11
Patents

132.06874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 126.6
[M+Na]+ 155.05796 136.8
[M-H]- 131.06146 127.4
[M+NH4]+ 150.10256 144.7
[M+K]+ 171.03190 133.4
[M+H-H2O]+ 115.06600 114.2
[M+HCOO]- 177.06694 145.2
[M+CH3COO]- 191.08259 184.0
[M+Na-2H]- 153.04341 133.8
[M]+ 132.06819 120.2
[M]- 132.06929 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