CID 74891615

6-ethynylpyridin-3-amine

Structural Information

Molecular Formula
C7H6N2
SMILES
C#CC1=NC=C(C=C1)N
InChI
InChI=1S/C7H6N2/c1-2-7-4-3-6(8)5-9-7/h1,3-5H,8H2
InChIKey
FXZKQERWTFBNJI-UHFFFAOYSA-N
Compound name
6-ethynylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

118.0531 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06038 123.6
[M+Na]+ 141.04232 134.1
[M-H]- 117.04582 124.1
[M+NH4]+ 136.08692 141.9
[M+K]+ 157.01626 130.7
[M+H-H2O]+ 101.05036 111.4
[M+HCOO]- 163.05130 141.9
[M+CH3COO]- 177.06695 180.6
[M+Na-2H]- 139.02777 130.2
[M]+ 118.05255 115.9
[M]- 118.05365 115.9
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