CID 20677776

945217-60-7

Structural Information

Molecular Formula

C₉H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)N)N

InChI

InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,10-11H2,1-3H3/t6-,7+

InChIKey

MOFRNGKMXMQTQR-KNVOCYPGSA-N

Compound name

tert-butyl (3S,4R)-3,4-diaminopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 201.14772 Da
Monoisotopic Mass: -0.9
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]+	202.15500	146.3
[M+Na]+	224.13694	152.1
[M+NH4]+	219.18154	152.1
[M+K]+	240.11088	151.8
[M-H]-	200.14044	145.5
[M+Na-2H]-	222.12239	147.4
[M]+	201.14717	146.3
[M]-	201.14827	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe