CID 162052

41812-95-7

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

C1CCC(CC1)(C(=O)Cl)N

InChI

InChI=1S/C7H12ClNO/c8-6(10)7(9)4-2-1-3-5-7/h1-5,9H2

InChIKey

JOTOFQJAYOTZPA-UHFFFAOYSA-N

Compound name

1-aminocyclohexane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 161.06075 Da
Monoisotopic Mass: 1.4
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]+	162.06803	133.1
[M+Na]+	184.04997	139.1
[M-H]-	160.05347	135.6
[M+NH4]+	179.09457	155.7
[M+K]+	200.02391	136.4
[M+H-H2O]+	144.05801	129.4
[M+HCOO]-	206.05895	149.2
[M+CH3COO]-	220.07460	175.9
[M+Na-2H]-	182.03542	137.9
[M]+	161.06020	128.4
[M]-	161.06130	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe