CID 132353761

2138560-61-7

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CCOC(=O)C1=C(N=C(C=C1)Cl)NCC#C
InChI
InChI=1S/C11H11ClN2O2/c1-3-7-13-10-8(11(15)16-4-2)5-6-9(12)14-10/h1,5-6H,4,7H2,2H3,(H,13,14)
InChIKey
GBHWTSVGBVZNRE-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-2-(prop-2-ynylamino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 149.4
[M+Na]+ 261.04012 159.9
[M-H]- 237.04362 150.1
[M+NH4]+ 256.08472 164.5
[M+K]+ 277.01406 155.0
[M+H-H2O]+ 221.04816 137.1
[M+HCOO]- 283.04910 162.7
[M+CH3COO]- 297.06475 199.5
[M+Na-2H]- 259.02557 152.9
[M]+ 238.05035 147.3
[M]- 238.05145 147.3
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

No patent data available for this compound.