CID 53308458

Tert-butyl 3-aminocyclobutanecarboxylate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C)OC(=O)C1CC(C1)N

InChI

InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3

InChIKey

KNRNVMUJMBOCRF-UHFFFAOYSA-N

Compound name

tert-butyl 3-aminocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 171.12593 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]+	172.13321	142.8
[M+Na]+	194.11515	146.6
[M+NH4]+	189.15975	145.8
[M+K]+	210.08909	144.9
[M-H]-	170.11865	140.0
[M+Na-2H]-	192.10060	143.0
[M]+	171.12538	141.1
[M]-	171.12648	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe