CID 72207400

1363382-06-2

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1CC(C1)CN

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-9-4-8(5-9)6-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)

InChIKey

IJXVAVJJPSTQHE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.16812 Da
Monoisotopic Mass: 1.0
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]+	215.17540	157.8
[M+Na]+	237.15734	159.9
[M+NH4]+	232.20194	160.0
[M+K]+	253.13128	158.0
[M-H]-	213.16084	155.1
[M+Na-2H]-	235.14279	157.0
[M]+	214.16757	155.7
[M]-	214.16867	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe