CID 68696328

1638768-77-0

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-8(7-13)11(4,5)12/h8H,6-7,12H2,1-5H3

InChIKey

JSBUPLLZKZGROS-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-aminopropan-2-yl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 214.16812 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]+	215.17540	155.7
[M+Na]+	237.15734	159.8
[M-H]-	213.16084	157.2
[M+NH4]+	232.20194	166.5
[M+K]+	253.13128	162.7
[M+H-H2O]+	197.16538	144.7
[M+HCOO]-	259.16632	171.7
[M+CH3COO]-	273.18197	193.9
[M+Na-2H]-	235.14279	158.3
[M]+	214.16757	163.7
[M]-	214.16867	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe