CID 132313739

3,3-dichlorocyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula

SMILES

C1C(CC1(Cl)Cl)N

InChI

InChI=1S/C4H7Cl2N/c5-4(6)1-3(7)2-4/h3H,1-2,7H2

InChIKey

YUCUFZSRVFPOIM-UHFFFAOYSA-N

Compound name

3,3-dichlorocyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.99556 Da
Monoisotopic Mass: 1.0
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]+	140.00284	118.5
[M+Na]+	161.98478	127.4
[M-H]-	137.98828	121.4
[M+NH4]+	157.02938	136.7
[M+K]+	177.95872	126.0
[M+H-H2O]+	121.99282	112.3
[M+HCOO]-	183.99376	132.5
[M+CH3COO]-	198.00941	176.3
[M+Na-2H]-	159.97023	125.2
[M]+	138.99501	126.2
[M]-	138.99611	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.