CID 137952181

2219373-50-7

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=C2CN)C(=O)OC)C1
InChI
InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)17-5-6-18-10(8-16)7-11(12(18)9-17)13(19)21-4/h7H,5-6,8-9,16H2,1-4H3
InChIKey
JPWJASRNGBMYAV-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 8-O-methyl 6-(aminomethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16885 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 174.3
[M+Na]+ 332.158068 180.5
[M-H]- 308.161574 175.6
[M+NH4]+ 327.202673 189.2
[M+K]+ 348.132008 179.2
[M+H-H2O]+ 292.166110 167.5
[M+HCOO]- 354.167051 190.0
[M+CH3COO]- 368.182701 206.9
[M+Na-2H]- 330.143516 174.5
[M]+ 309.16830142 175.9
[M]- 309.16939858 175.9
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.