CID 21256693

1,2,3,4-tetrahydronaphthalene-1,7-diamine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CC(C2=C(C1)C=CC(=C2)N)N

InChI

InChI=1S/C10H14N2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,11-12H2

InChIKey

FIILISPGQREIBX-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydronaphthalene-1,7-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 162.11569 Da
Monoisotopic Mass: 0.9
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]+	163.122966	133.0
[M+Na]+	185.104908	139.7
[M-H]-	161.108414	136.4
[M+NH4]+	180.149513	154.0
[M+K]+	201.078848	136.3
[M+H-H2O]+	145.112950	127.2
[M+HCOO]-	207.113891	155.1
[M+CH3COO]-	221.129541	183.2
[M+Na-2H]-	183.090356	139.2
[M]+	162.11514142	126.6
[M]-	162.11623858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe