CID 53346608

887587-25-9

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)NC2CC2

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-10(8-14)13-9-4-5-9/h9-10,13H,4-8H2,1-3H3

InChIKey

KYEGQEQHIFRJSY-UHFFFAOYSA-N

Compound name

tert-butyl 3-(cyclopropylamino)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 226.16812 Da
Monoisotopic Mass: 1.4
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]+	227.17540	154.6
[M+Na]+	249.15734	161.2
[M-H]-	225.16084	160.2
[M+NH4]+	244.20194	168.3
[M+K]+	265.13128	158.6
[M+H-H2O]+	209.16538	148.0
[M+HCOO]-	271.16632	174.1
[M+CH3COO]-	285.18197	193.5
[M+Na-2H]-	247.14279	156.8
[M]+	226.16757	155.6
[M]-	226.16867	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe