CID 37818419

3-(n-boc-methylaminomethyl)azetidine

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)CC1CNC1

InChI

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

InChIKey

IIRJNOLNCXOXOR-UHFFFAOYSA-N

Compound name

tert-butyl N-(azetidin-3-ylmethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
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	151.4
[M+Na]+	223.141698	154.4
[M-H]-	199.145204	153.0
[M+NH4]+	218.186303	162.5
[M+K]+	239.115638	157.9
[M+H-H2O]+	183.149740	139.6
[M+HCOO]-	245.150681	168.9
[M+CH3COO]-	259.166331	190.9
[M+Na-2H]-	221.127146	154.1
[M]+	200.15193142	159.6
[M]-	200.15302858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe