CID 137698501

Tert-butyl n-[(4-methoxy-2-methylpyrrolidin-2-yl)methyl]carbamate

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₃

SMILES

CC1(CC(CN1)OC)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)13-8-12(4)6-9(16-5)7-14-12/h9,14H,6-8H2,1-5H3,(H,13,15)

InChIKey

PTQMQCURMJQIIV-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-methoxy-2-methylpyrrolidin-2-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.1787 Da
Monoisotopic Mass: 0.8
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]+	245.185976	158.9
[M+Na]+	267.167918	163.8
[M-H]-	243.171424	159.3
[M+NH4]+	262.212523	178.0
[M+K]+	283.141858	163.0
[M+H-H2O]+	227.175960	153.9
[M+HCOO]-	289.176901	176.8
[M+CH3COO]-	303.192551	191.2
[M+Na-2H]-	265.153366	161.7
[M]+	244.17815142	158.5
[M]-	244.17924858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.