CID 12422526

3-ethynylpyridin-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

118.0531 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.060376 123.6
[M+Na]+ 141.042318 134.1
[M-H]- 117.045824 124.1
[M+NH4]+ 136.086923 141.9
[M+K]+ 157.016258 130.7
[M+H-H2O]+ 101.050360 111.4
[M+HCOO]- 163.051301 141.9
[M+CH3COO]- 177.066951 180.6
[M+Na-2H]- 139.027766 130.2
[M]+ 118.05255142 115.9
[M]- 118.05364858 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