CID 11820622

121242-20-4

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8+/m0/s1

InChIKey

STYSIWNZDIJKGC-JGVFFNPUSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 216.1474 Da
Monoisotopic Mass: -0.1
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]+	217.154676	150.8
[M+Na]+	239.136618	157.1
[M-H]-	215.140124	152.6
[M+NH4]+	234.181223	169.8
[M+K]+	255.110558	157.1
[M+H-H2O]+	199.144660	145.1
[M+HCOO]-	261.145601	170.3
[M+CH3COO]-	275.161251	188.8
[M+Na-2H]-	237.122066	152.0
[M]+	216.14685142	150.7
[M]-	216.14794858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe