CID 71755803

Tert-butyl 6-chloro-1-methyl-1h,2h,3h,4h-pyrrolo[1,2-a]pyrazine-2-carboxylate

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CC1C2=CC=C(N2CCN1C(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C13H19ClN2O2/c1-9-10-5-6-11(14)16(10)8-7-15(9)12(17)18-13(2,3)4/h5-6,9H,7-8H2,1-4H3
InChIKey
DCRNVENRAYVRTG-UHFFFAOYSA-N
Compound name
tert-butyl 6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

270.1135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12078 160.9
[M+Na]+ 293.10272 172.1
[M+NH4]+ 288.14732 168.2
[M+K]+ 309.07666 168.5
[M-H]- 269.10622 160.4
[M+Na-2H]- 291.08817 163.5
[M]+ 270.11295 162.5
[M]- 270.11405 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.