CID 55285811

3-ethynylpyridin-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

118.0531 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe