CID 124109

Amantadine-n-mustard

Structural Information

Molecular Formula

C₁₄H₂₃Cl₂N

SMILES

C1C2CC3CC1CC(C2)(C3)N(CCCl)CCCl

InChI

InChI=1S/C14H23Cl2N/c15-1-3-17(4-2-16)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10H2

InChIKey

XXLZNPXWCIMLFS-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)adamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 275.12076 Da
Monoisotopic Mass: 4.1
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]+	276.12804	166.5
[M+Na]+	298.10998	168.8
[M-H]-	274.11348	161.8
[M+NH4]+	293.15458	190.9
[M+K]+	314.08392	163.6
[M+H-H2O]+	258.11802	161.8
[M+HCOO]-	320.11896	165.8
[M+CH3COO]-	334.13461	173.9
[M+Na-2H]-	296.09543	174.5
[M]+	275.12021	169.7
[M]-	275.12131	169.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.