CID 62785741

2413897-08-0

Structural Information

Molecular Formula

C₁₁H₂₃N₃

SMILES

CC(C)(C)N1CCN(CC1)C2CNC2

InChI

InChI=1S/C11H23N3/c1-11(2,3)14-6-4-13(5-7-14)10-8-12-9-10/h10,12H,4-9H2,1-3H3

InChIKey

JLBBNRBIONVITP-UHFFFAOYSA-N

Compound name

1-(azetidin-3-yl)-4-tert-butylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 197.1892 Da
Monoisotopic Mass: 0.5
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]+	198.19648	150.7
[M+Na]+	220.17842	153.9
[M-H]-	196.18192	150.5
[M+NH4]+	215.22302	159.0
[M+K]+	236.15236	154.4
[M+H-H2O]+	180.18646	137.5
[M+HCOO]-	242.18740	161.6
[M+CH3COO]-	256.20305	186.4
[M+Na-2H]-	218.16387	153.7
[M]+	197.18865	152.4
[M]-	197.18975	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe