CID 25918667

5-chloro-3-ethynylpyridin-2-amine

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C#CC1=C(N=CC(=C1)Cl)N
InChI
InChI=1S/C7H5ClN2/c1-2-5-3-6(8)4-10-7(5)9/h1,3-4H,(H2,9,10)
InChIKey
MJENWHNACWVDES-UHFFFAOYSA-N
Compound name
5-chloro-3-ethynylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

152.01413 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.021406 129.0
[M+Na]+ 175.003348 141.2
[M-H]- 151.006854 129.7
[M+NH4]+ 170.047953 147.2
[M+K]+ 190.977288 136.0
[M+H-H2O]+ 135.011390 117.8
[M+HCOO]- 197.012331 143.2
[M+CH3COO]- 211.027981 185.1
[M+Na-2H]- 172.988796 134.6
[M]+ 152.01358142 123.4
[M]- 152.01467858 123.4
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