CID 64243

25717-05-9

Structural Information

Molecular Formula

C₁₃H₂₀ClNO

SMILES

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

InChI

InChI=1S/C13H20ClNO/c14-2-1-12(16)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,15,16)

InChIKey

SHWIIKLJYCCNSU-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)-3-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.12334 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]+	242.13062	156.4
[M+Na]+	264.11256	158.6
[M-H]-	240.11606	151.4
[M+NH4]+	259.15716	181.4
[M+K]+	280.08650	154.1
[M+H-H2O]+	224.12060	151.7
[M+HCOO]-	286.12154	159.7
[M+CH3COO]-	300.13719	164.5
[M+Na-2H]-	262.09801	166.1
[M]+	241.12279	157.5
[M]-	241.12389	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe