CID 213512

Adamantane-1,3-diamine

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

C1C2CC3(CC1CC(C2)(C3)N)N

InChI

InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2

InChIKey

FOLJMFFBEKONJP-UHFFFAOYSA-N

Compound name

adamantane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1119
Patents: 166.147 Da
Monoisotopic Mass: 0.3
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]+	167.154276	138.4
[M+Na]+	189.136218	141.8
[M-H]-	165.139724	133.4
[M+NH4]+	184.180823	166.8
[M+K]+	205.110158	138.4
[M+H-H2O]+	149.144260	132.7
[M+HCOO]-	211.145201	147.2
[M+CH3COO]-	225.160851	147.8
[M+Na-2H]-	187.121666	150.6
[M]+	166.14645142	134.6
[M]-	166.14754858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe