CID 144340923

2416228-84-5

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

C1C(CN1)C2CNC2

InChI

InChI=1S/C6H12N2/c1-5(2-7-1)6-3-8-4-6/h5-8H,1-4H2

InChIKey

HRPXXDYONCTWJF-UHFFFAOYSA-N

Compound name

3-(azetidin-3-yl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 112.10005 Da
Monoisotopic Mass: -0.6
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]+	113.107326	118.1
[M+Na]+	135.089268	121.6
[M-H]-	111.092774	118.8
[M+NH4]+	130.133873	123.5
[M+K]+	151.063208	125.2
[M+H-H2O]+	95.097310	102.7
[M+HCOO]-	157.098251	132.5
[M+CH3COO]-	171.113901	178.1
[M+Na-2H]-	133.074716	123.7
[M]+	112.09950142	128.1
[M]-	112.10059858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe