CID 11228822

3-ethynyl-5-methylpyridin-2-amine

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=CC(=C(N=C1)N)C#C
InChI
InChI=1S/C8H8N2/c1-3-7-4-6(2)5-10-8(7)9/h1,4-5H,2H3,(H2,9,10)
InChIKey
HEESMXQXYWSDFF-UHFFFAOYSA-N
Compound name
3-ethynyl-5-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

132.06874 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 127.9
[M+Na]+ 155.05796 140.8
[M+NH4]+ 150.10256 133.0
[M+K]+ 171.03190 131.5
[M-H]- 131.06146 122.4
[M+Na-2H]- 153.04341 132.2
[M]+ 132.06819 127.3
[M]- 132.06929 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe