CID 53419948

Tert-butyl 2-(3-chloropyrazin-2-yl)-2-cyanoacetate

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
CC(C)(C)OC(=O)C(C#N)C1=NC=CN=C1Cl
InChI
InChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)7(6-13)8-9(12)15-5-4-14-8/h4-5,7H,1-3H3
InChIKey
MBNOANHOMYFZOS-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-chloropyrazin-2-yl)-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0618 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 153.1
[M+Na]+ 276.05102 164.6
[M+NH4]+ 271.09562 156.0
[M+K]+ 292.02496 157.0
[M-H]- 252.05452 145.3
[M+Na-2H]- 274.03647 155.9
[M]+ 253.06125 151.9
[M]- 253.06235 151.9
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

No patent data available for this compound.