CID 22924397

351369-25-0

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1CNCC1CNC(=O)OC(C)(C)C

InChI

InChI=1S/C11H22N2O2/c1-8-5-12-6-9(8)7-13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)

InChIKey

CEFJWUXTHLISAP-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 214.16812 Da
Monoisotopic Mass: 1.3
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	153.6
[M+Na]+	237.157338	158.2
[M-H]-	213.160844	153.9
[M+NH4]+	232.201943	171.9
[M+K]+	253.131278	156.8
[M+H-H2O]+	197.165380	147.6
[M+HCOO]-	259.166321	171.6
[M+CH3COO]-	273.181971	186.5
[M+Na-2H]-	235.142786	155.2
[M]+	214.16757142	151.0
[M]-	214.16866858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe