CID 15069970

128739-89-9

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

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

InChI

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

InChIKey

PIGDOXPNNMFBNA-JGVFFNPUSA-N

Compound name

tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 216.1474 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]+	217.154676	151.6
[M+Na]+	239.136618	156.4
[M-H]-	215.140124	152.0
[M+NH4]+	234.181223	169.8
[M+K]+	255.110558	155.8
[M+H-H2O]+	199.144660	145.6
[M+HCOO]-	261.145601	170.1
[M+CH3COO]-	275.161251	185.6
[M+Na-2H]-	237.122066	153.9
[M]+	216.14685142	150.1
[M]-	216.14794858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe