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]+ 259.16524 161.2
[M+Na]+ 281.14718 166.6
[M-H]- 257.15068 162.7
[M+NH4]+ 276.19178 178.3
[M+K]+ 297.12112 166.6
[M+H-H2O]+ 241.15522 155.2
[M+HCOO]- 303.15616 179.4
[M+CH3COO]- 317.17181 196.3
[M+Na-2H]- 279.13263 160.4
[M]+ 258.15741 161.8
[M]- 258.15851 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