CID 146082510

Tert-butyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

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

InChI

InChI=1S/C10H19NO3/c1-9(2,3)14-8(12)7-4-10(13,5-7)6-11/h7,13H,4-6,11H2,1-3H3

InChIKey

XSBAEMGSFOCXIO-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.13649 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]+	202.143766	150.3
[M+Na]+	224.125708	154.6
[M-H]-	200.129214	152.0
[M+NH4]+	219.170313	163.8
[M+K]+	240.099648	157.1
[M+H-H2O]+	184.133750	141.3
[M+HCOO]-	246.134691	168.0
[M+CH3COO]-	260.150341	187.8
[M+Na-2H]-	222.111156	153.3
[M]+	201.13594142	157.9
[M]-	201.13703858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.