CID 67348

Spirgetine

Structural Information

Molecular Formula

C₁₀H₂₀N₄

SMILES

C1CC12CCN(CC2)CCN=C(N)N

InChI

InChI=1S/C10H20N4/c11-9(12)13-5-8-14-6-3-10(1-2-10)4-7-14/h1-8H2,(H4,11,12,13)

InChIKey

MWFKNPHAOISKKI-UHFFFAOYSA-N

Compound name

2-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 196.1688 Da
Monoisotopic Mass: 0.2
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]+	197.176076	145.3
[M+Na]+	219.158018	150.9
[M-H]-	195.161524	150.0
[M+NH4]+	214.202623	159.9
[M+K]+	235.131958	148.5
[M+H-H2O]+	179.166060	138.5
[M+HCOO]-	241.167001	166.6
[M+CH3COO]-	255.182651	194.7
[M+Na-2H]-	217.143466	150.5
[M]+	196.16825142	140.8
[M]-	196.16934858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe