CID 162052

Cyclohexanecarbonyl chloride, 1-amino-, hydrochloride

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

2
Annotation Hits: 0
References: 36
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]+	162.068026	133.1
[M+Na]+	184.049968	139.1
[M-H]-	160.053474	135.6
[M+NH4]+	179.094573	155.7
[M+K]+	200.023908	136.4
[M+H-H2O]+	144.058010	129.4
[M+HCOO]-	206.058951	149.2
[M+CH3COO]-	220.074601	175.9
[M+Na-2H]-	182.035416	137.9
[M]+	161.06020142	128.4
[M]-	161.06129858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe