CID 64084472

1342224-13-8

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)NCCC#C

InChI

InChI=1S/C12H20N2O2/c1-5-6-7-13-10-8-14(9-10)11(15)16-12(2,3)4/h1,10,13H,6-9H2,2-4H3

InChIKey

YNIJPYWLGUIXJH-UHFFFAOYSA-N

Compound name

tert-butyl 3-(but-3-ynylamino)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 224.15248 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]+	225.159756	151.4
[M+Na]+	247.141698	156.6
[M-H]-	223.145204	151.8
[M+NH4]+	242.186303	160.4
[M+K]+	263.115638	159.4
[M+H-H2O]+	207.149740	134.4
[M+HCOO]-	269.150681	164.2
[M+CH3COO]-	283.166331	202.0
[M+Na-2H]-	245.127146	153.4
[M]+	224.15193142	154.4
[M]-	224.15302858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe