CID 64161

5689-59-8

Structural Information

Molecular Formula

C₁₂H₁₈ClNO

SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCl

InChI

InChI=1S/C12H18ClNO/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,14,15)

InChIKey

PJRVXDKETNCCKR-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 227.1077 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]+	228.11498	151.8
[M+Na]+	250.09692	154.4
[M-H]-	226.10042	147.0
[M+NH4]+	245.14152	177.3
[M+K]+	266.07086	150.2
[M+H-H2O]+	210.10496	147.3
[M+HCOO]-	272.10590	155.4
[M+CH3COO]-	286.12155	160.3
[M+Na-2H]-	248.08237	162.1
[M]+	227.10715	152.6
[M]-	227.10825	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe