CID 24256605

191231-58-0

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1CNC

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-6-9(13)8-12-4/h9,12H,5-8H2,1-4H3/t9-/m0/s1

InChIKey

NHOPGDPSLMBDQD-VIFPVBQESA-N

Compound name

tert-butyl (2S)-2-(methylaminomethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 214.16812 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]+	215.175396	152.9
[M+Na]+	237.157338	158.0
[M-H]-	213.160844	154.7
[M+NH4]+	232.201943	172.1
[M+K]+	253.131278	157.5
[M+H-H2O]+	197.165380	146.8
[M+HCOO]-	259.166321	172.5
[M+CH3COO]-	273.181971	189.1
[M+Na-2H]-	235.142786	155.1
[M]+	214.16757142	152.3
[M]-	214.16866858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe