CID 139389033

2374131-19-6

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC1(CC(CN1C(=O)OC(C)(C)C)CN)C

InChI

InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-8-9(7-13)6-12(14,4)5/h9H,6-8,13H2,1-5H3

InChIKey

IQWYQFNQGIPINW-UHFFFAOYSA-N

Compound name

tert-butyl 4-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 228.18378 Da
Monoisotopic Mass: 1.2
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]+	229.191056	154.9
[M+Na]+	251.172998	161.4
[M-H]-	227.176504	156.7
[M+NH4]+	246.217603	175.6
[M+K]+	267.146938	160.6
[M+H-H2O]+	211.181040	150.3
[M+HCOO]-	273.181981	173.6
[M+CH3COO]-	287.197631	192.3
[M+Na-2H]-	249.158446	156.5
[M]+	228.18323142	154.5
[M]-	228.18432858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe