CID 854070

147081-49-0

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC[C@H](C1)N

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1

InChIKey

CMIBWIAICVBURI-SSDOTTSWSA-N

Compound name

tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5574
Patents: 186.13683 Da
Monoisotopic Mass: 0.4
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]+	187.14411	143.1
[M+Na]+	209.12605	150.2
[M+NH4]+	204.17065	149.6
[M+K]+	225.09999	148.9
[M-H]-	185.12955	142.3
[M+Na-2H]-	207.11150	145.2
[M]+	186.13628	143.4
[M]-	186.13738	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe