CID 7009918

121148-00-3

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₄

SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)N

InChI

InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6,12H2,1-4H3/t7-,8+/m1/s1

InChIKey

IOLQYMRFIIVPMQ-SFYZADRCSA-N

Compound name

1-O-tert-butyl 2-O-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 557
Patents: 244.1423 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.149576	156.6
[M+Na]+	267.131518	162.4
[M-H]-	243.135024	158.3
[M+NH4]+	262.176123	174.3
[M+K]+	283.105458	162.6
[M+H-H2O]+	227.139560	150.8
[M+HCOO]-	289.140501	175.1
[M+CH3COO]-	303.156151	193.3
[M+Na-2H]-	265.116966	156.3
[M]+	244.14175142	156.8
[M]-	244.14284858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe