CID 55289822

905439-52-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

132.06874 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe