CID 12335822

(1-(4-chlorophenyl)cyclobutyl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₄ClN

SMILES

C1CC(C1)(CN)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H14ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-8,13H2

InChIKey

VJISRXVFSSVMQD-UHFFFAOYSA-N

Compound name

[1-(4-chlorophenyl)cyclobutyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 195.08148 Da
Monoisotopic Mass: 2.7
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]+	196.08876	138.9
[M+Na]+	218.07070	146.1
[M-H]-	194.07420	144.9
[M+NH4]+	213.11530	154.3
[M+K]+	234.04464	144.2
[M+H-H2O]+	178.07874	129.2
[M+HCOO]-	240.07968	157.1
[M+CH3COO]-	254.09533	187.4
[M+Na-2H]-	216.05615	144.9
[M]+	195.08093	146.2
[M]-	195.08203	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe