CID 23153172

454703-20-9

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)NC

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(6-11)10-4/h7,10H,5-6H2,1-4H3

InChIKey

CHRBSEYIEDTNSC-UHFFFAOYSA-N

Compound name

tert-butyl 3-(methylamino)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 301
Patents: 186.13683 Da
Monoisotopic Mass: 0.5
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]+	187.14411	145.4
[M+Na]+	209.12605	150.0
[M-H]-	185.12955	147.5
[M+NH4]+	204.17065	157.5
[M+K]+	225.09999	153.3
[M+H-H2O]+	169.13409	134.1
[M+HCOO]-	231.13503	164.2
[M+CH3COO]-	245.15068	188.3
[M+Na-2H]-	207.11150	149.3
[M]+	186.13628	154.3
[M]-	186.13738	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe