CID 13086940

6740-87-0

Structural Information

Molecular Formula

C₁₃H₁₆ClNO

SMILES

CN=C(C1=CC=CC=C1Cl)C2(CCCC2)O

InChI

InChI=1S/C13H16ClNO/c1-15-12(13(16)8-4-5-9-13)10-6-2-3-7-11(10)14/h2-3,6-7,16H,4-5,8-9H2,1H3

InChIKey

FJGPXUPMNZOTLX-UHFFFAOYSA-N

Compound name

1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 237.09204 Da
Monoisotopic Mass: 2.8
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]+	238.099316	154.2
[M+Na]+	260.081258	161.0
[M-H]-	236.084764	160.6
[M+NH4]+	255.125863	176.0
[M+K]+	276.055198	156.4
[M+H-H2O]+	220.089300	148.7
[M+HCOO]-	282.090241	172.7
[M+CH3COO]-	296.105891	190.2
[M+Na-2H]-	258.066706	157.2
[M]+	237.09149142	152.9
[M]-	237.09258858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe