CID 2726503

Adamantane-1-carboxamidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

C1C2CC3CC1CC(C2)(C3)C(=N)N

InChI

InChI=1S/C11H18N2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13)

InChIKey

UMSZZMYJNYFCNL-UHFFFAOYSA-N

Compound name

adamantane-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 107
Patents: 178.147 Da
Monoisotopic Mass: 1.8
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]+	179.15428	139.9
[M+Na]+	201.13622	141.4
[M-H]-	177.13972	134.7
[M+NH4]+	196.18082	165.8
[M+K]+	217.11016	138.2
[M+H-H2O]+	161.14426	134.5
[M+HCOO]-	223.14520	148.2
[M+CH3COO]-	237.16085	148.6
[M+Na-2H]-	199.12167	150.7
[M]+	178.14645	135.5
[M]-	178.14755	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe