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]+ 153.02141 129.0
[M+Na]+ 175.00335 141.2
[M-H]- 151.00685 129.7
[M+NH4]+ 170.04795 147.2
[M+K]+ 190.97729 136.0
[M+H-H2O]+ 135.01139 117.8
[M+HCOO]- 197.01233 143.2
[M+CH3COO]- 211.02798 185.1
[M+Na-2H]- 172.98880 134.6
[M]+ 152.01358 123.4
[M]- 152.01468 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