CID 82600577

Methyl 1h,2h,3h,4h-pyrrolo[1,2-a]pyrazine-8-carboxylate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
COC(=O)C1=C2CNCCN2C=C1
InChI
InChI=1S/C9H12N2O2/c1-13-9(12)7-2-4-11-5-3-10-6-8(7)11/h2,4,10H,3,5-6H2,1H3
InChIKey
IONSRGDHHCMINV-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

180.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.7
[M+Na]+ 203.079088 145.9
[M-H]- 179.082594 138.8
[M+NH4]+ 198.123693 158.1
[M+K]+ 219.053028 143.6
[M+H-H2O]+ 163.087130 131.9
[M+HCOO]- 225.088071 156.5
[M+CH3COO]- 239.103721 176.7
[M+Na-2H]- 201.064536 143.0
[M]+ 180.08932142 136.3
[M]- 180.09041858 136.3
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

patents stripe