CID 53396175

1-tert-butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate hydrochloride

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CCOC(=O)C1CN(CC1N)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O4/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4/h8-9H,5-7,13H2,1-4H3
InChIKey
AIZZFYPYPULRFL-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-ethyl 4-aminopyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

258.15796 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 161.2
[M+Na]+ 281.147178 166.6
[M-H]- 257.150684 162.7
[M+NH4]+ 276.191783 178.3
[M+K]+ 297.121118 166.6
[M+H-H2O]+ 241.155220 155.2
[M+HCOO]- 303.156161 179.4
[M+CH3COO]- 317.171811 196.3
[M+Na-2H]- 279.132626 160.4
[M]+ 258.15741142 161.8
[M]- 258.15850858 161.8
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