CID 29829

19835-43-9

Structural Information

Molecular Formula

C₁₄H₂₄ClN

SMILES

CC(CC12CC3CC(C1)CC(C3)C2Cl)NC

InChI

InChI=1S/C14H24ClN/c1-9(16-2)6-14-7-10-3-11(8-14)5-12(4-10)13(14)15/h9-13,16H,3-8H2,1-2H3

InChIKey

MZZYFGRZIFMSKE-UHFFFAOYSA-N

Compound name

1-(2-chloro-1-adamantyl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.15973 Da
Monoisotopic Mass: 3.4
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]+	242.16701	160.9
[M+Na]+	264.14895	163.1
[M-H]-	240.15245	155.8
[M+NH4]+	259.19355	186.1
[M+K]+	280.12289	158.4
[M+H-H2O]+	224.15699	156.0
[M+HCOO]-	286.15793	163.2
[M+CH3COO]-	300.17358	168.7
[M+Na-2H]-	262.13440	168.9
[M]+	241.15918	161.7
[M]-	241.16028	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe