CID 82613381

Tert-butyl 3-(3-aminopropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)CCCN

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-9(8-13)5-4-6-12/h9H,4-8,12H2,1-3H3

InChIKey

PCVWQHKPZXIGDH-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-aminopropyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	155.8
[M+Na]+	237.157338	159.5
[M-H]-	213.160844	156.9
[M+NH4]+	232.201943	166.4
[M+K]+	253.131278	161.9
[M+H-H2O]+	197.165380	144.0
[M+HCOO]-	259.166321	173.2
[M+CH3COO]-	273.181971	193.5
[M+Na-2H]-	235.142786	157.4
[M]+	214.16757142	164.3
[M]-	214.16866858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe