CID 37818431

162696-31-3

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NCCC1CNC1

InChI

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

InChIKey

CSPJUZSNJFANNU-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
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	151.5
[M+Na]+	223.141698	154.3
[M-H]-	199.145204	151.6
[M+NH4]+	218.186303	161.9
[M+K]+	239.115638	156.4
[M+H-H2O]+	183.149740	139.8
[M+HCOO]-	245.150681	168.5
[M+CH3COO]-	259.166331	187.5
[M+Na-2H]-	221.127146	154.9
[M]+	200.15193142	158.4
[M]-	200.15302858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe