CID 1512533

119020-01-8

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3/t8-/m0/s1

InChIKey

SOGXYCNKQQJEED-QMMMGPOBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1390
Patents: 200.15248 Da
Monoisotopic Mass: 0.7
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]+	201.159756	148.8
[M+Na]+	223.141698	154.2
[M-H]-	199.145204	150.1
[M+NH4]+	218.186303	168.2
[M+K]+	239.115638	153.6
[M+H-H2O]+	183.149740	142.8
[M+HCOO]-	245.150681	168.0
[M+CH3COO]-	259.166331	185.4
[M+Na-2H]-	221.127146	150.4
[M]+	200.15193142	146.8
[M]-	200.15302858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe