CID 19794315

2094411-58-0

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-7(5-8)6-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)

InChIKey

ACDLXPYQWYTZLE-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 200.15248 Da
Monoisotopic Mass: 0.8
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]+	201.159756	151.3
[M+Na]+	223.141698	154.3
[M-H]-	199.145204	153.9
[M+NH4]+	218.186303	163.2
[M+K]+	239.115638	157.2
[M+H-H2O]+	183.149740	139.7
[M+HCOO]-	245.150681	171.2
[M+CH3COO]-	259.166331	192.9
[M+Na-2H]-	221.127146	153.5
[M]+	200.15193142	158.0
[M]-	200.15302858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe