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 127.3
[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

literature stripe

Patent stripe

patents stripe