CID 124556055

1251021-47-2

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1CCC2)N

InChI

InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-7-12(13)6-4-5-9(12)14/h9H,4-8,13H2,1-3H3/t9-,12+/m0/s1

InChIKey

TUBKTTUXJKGATN-JOYOIKCWSA-N

Compound name

tert-butyl (3aR,6aS)-3a-amino-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.16812 Da
Monoisotopic Mass: 1.1
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]+	227.175396	155.8
[M+Na]+	249.157338	161.5
[M-H]-	225.160844	158.1
[M+NH4]+	244.201943	178.8
[M+K]+	265.131278	160.3
[M+H-H2O]+	209.165380	151.2
[M+HCOO]-	271.166321	173.5
[M+CH3COO]-	285.181971	189.1
[M+Na-2H]-	247.142786	157.6
[M]+	226.16757142	153.1
[M]-	226.16866858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.