CID 16228707

1090904-48-5

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC(C1)N

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5,10H2,1-3H3,(H,11,12)

InChIKey

OPDOEOOBYOABCJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-aminocyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 552
Patents: 186.13683 Da
Monoisotopic Mass: 0.6
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	146.6
[M+Na]+	209.12605	150.1
[M-H]-	185.12955	149.4
[M+NH4]+	204.17065	159.1
[M+K]+	225.09999	153.2
[M+H-H2O]+	169.13409	135.3
[M+HCOO]-	231.13503	166.8
[M+CH3COO]-	245.15068	189.9
[M+Na-2H]-	207.11150	149.3
[M]+	186.13628	153.0
[M]-	186.13738	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe