CID 2761404

3-(n-tert-butoxycarbonyl-n-methylamino)pyrrolidine

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)C1CCNC1

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3

InChIKey

XYKYUXYNQDXZTD-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1257
Patents: 200.15248 Da
Monoisotopic Mass: 0.9
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	153.1
[M-H]-	199.145204	150.5
[M+NH4]+	218.186303	168.1
[M+K]+	239.115638	153.4
[M+H-H2O]+	183.149740	142.7
[M+HCOO]-	245.150681	167.7
[M+CH3COO]-	259.166331	185.8
[M+Na-2H]-	221.127146	151.0
[M]+	200.15193142	146.8
[M]-	200.15302858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe