CID 16740809

Tert-butyl n-[1-(aminomethyl)cyclopentyl]carbamate

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NC1(CCCC1)CN

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-11(8-12)6-4-5-7-11/h4-8,12H2,1-3H3,(H,13,14)

InChIKey

XEJPADMAPZAZEL-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(aminomethyl)cyclopentyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 223
Patents: 214.16812 Da
Monoisotopic Mass: 1.1
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	151.4
[M+Na]+	237.157338	155.5
[M-H]-	213.160844	153.8
[M+NH4]+	232.201943	172.9
[M+K]+	253.131278	154.9
[M+H-H2O]+	197.165380	146.6
[M+HCOO]-	259.166321	172.6
[M+CH3COO]-	273.181971	189.2
[M+Na-2H]-	235.142786	155.0
[M]+	214.16757142	148.4
[M]-	214.16866858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe