CID 166551170

2012991-41-0

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)C1(CCC1)CN

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13(4)11(8-12)6-5-7-11/h5-8,12H2,1-4H3

InChIKey

ZGUHBRZBFJBPGI-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(aminomethyl)cyclobutyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 214.16812 Da
Monoisotopic Mass: 0.9
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]+	215.175396	156.8
[M+Na]+	237.157338	159.6
[M-H]-	213.160844	160.7
[M+NH4]+	232.201943	170.6
[M+K]+	253.131278	163.7
[M+H-H2O]+	197.165380	146.3
[M+HCOO]-	259.166321	176.8
[M+CH3COO]-	273.181971	197.5
[M+Na-2H]-	235.142786	159.6
[M]+	214.16757142	165.1
[M]-	214.16866858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe