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]+ 310.17613 174.3
[M+Na]+ 332.15807 180.5
[M-H]- 308.16157 175.6
[M+NH4]+ 327.20267 189.2
[M+K]+ 348.13201 179.2
[M+H-H2O]+ 292.16611 167.5
[M+HCOO]- 354.16705 190.0
[M+CH3COO]- 368.18270 206.9
[M+Na-2H]- 330.14352 174.5
[M]+ 309.16830 175.9
[M]- 309.16940 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.