CID 431837

1,2-adamantanediamine

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

C1C2CC3CC1CC(C2)(C3N)N

InChI

InChI=1S/C10H18N2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5,11-12H2

InChIKey

CCZNQFWUNRMXSN-UHFFFAOYSA-N

Compound name

adamantane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 376
Patents: 166.147 Da
Monoisotopic Mass: 0.4
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]+	167.15428	137.5
[M+Na]+	189.13622	140.5
[M-H]-	165.13972	132.5
[M+NH4]+	184.18082	164.3
[M+K]+	205.11016	137.4
[M+H-H2O]+	149.14426	132.4
[M+HCOO]-	211.14520	146.4
[M+CH3COO]-	225.16085	146.9
[M+Na-2H]-	187.12167	148.4
[M]+	166.14645	133.7
[M]-	166.14755	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe