CID 38521

Guanadrel

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₂

SMILES

C1CCC2(CC1)OCC(O2)CN=C(N)N

InChI

InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)

InChIKey

HPBNRIOWIXYZFK-UHFFFAOYSA-N

Compound name

2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 41
References: 4560
Patents: 213.14772 Da
Monoisotopic Mass: 0.0
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]+	214.154996	148.2
[M+Na]+	236.136938	150.9
[M-H]-	212.140444	154.2
[M+NH4]+	231.181543	166.8
[M+K]+	252.110878	151.8
[M+H-H2O]+	196.144980	141.7
[M+HCOO]-	258.145921	168.3
[M+CH3COO]-	272.161571	191.6
[M+Na-2H]-	234.122386	152.9
[M]+	213.14717142	140.9
[M]-	213.14826858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe