CID 84026347

Methyl 1-chloropyrrolo[1,2-a]pyrazine-6-carboxylate

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
COC(=O)C1=CC=C2N1C=CN=C2Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)7-3-2-6-8(10)11-4-5-12(6)7/h2-5H,1H3
InChIKey
YEDLRXMARQTTJS-UHFFFAOYSA-N
Compound name
methyl 1-chloropyrrolo[1,2-a]pyrazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0196 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.026876 139.4
[M+Na]+ 233.008818 151.8
[M-H]- 209.012324 142.2
[M+NH4]+ 228.053423 159.7
[M+K]+ 248.982758 148.0
[M+H-H2O]+ 193.016860 133.1
[M+HCOO]- 255.017801 158.4
[M+CH3COO]- 269.033451 183.3
[M+Na-2H]- 230.994266 146.0
[M]+ 210.01905142 145.4
[M]- 210.02014858 145.4
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

No patent data available for this compound.