CID 56924482

1158758-77-0

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC1(CN(C1)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-5-9(4,10)6-11/h5-6,10H2,1-4H3

InChIKey

LDWZHGRHSCFIJE-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-methylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 186.13683 Da
Monoisotopic Mass: 0.2
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	146.9
[M+Na]+	209.12605	152.4
[M-H]-	185.12955	148.8
[M+NH4]+	204.17065	160.7
[M+K]+	225.09999	155.4
[M+H-H2O]+	169.13409	137.1
[M+HCOO]-	231.13503	165.1
[M+CH3COO]-	245.15068	187.2
[M+Na-2H]-	207.11150	150.9
[M]+	186.13628	155.1
[M]-	186.13738	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe