CID 28446

Tetridamine

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

CNC1=C2CCCCC2=NN1C

InChI

InChI=1S/C9H15N3/c1-10-9-7-5-3-4-6-8(7)11-12(9)2/h10H,3-6H2,1-2H3

InChIKey

NKDJNEGDJVXHKM-UHFFFAOYSA-N

Compound name

N,2-dimethyl-4,5,6,7-tetrahydroindazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 4219
Patents: 165.1266 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]+	166.13388	136.0
[M+Na]+	188.11582	143.8
[M-H]-	164.11932	137.7
[M+NH4]+	183.16042	156.9
[M+K]+	204.08976	141.4
[M+H-H2O]+	148.12386	128.8
[M+HCOO]-	210.12480	156.8
[M+CH3COO]-	224.14045	181.8
[M+Na-2H]-	186.10127	141.8
[M]+	165.12605	133.7
[M]-	165.12715	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe