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

7
Annotation Hits: 39
References: 4545
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]+	214.15500	150.9
[M+Na]+	236.13694	156.6
[M+NH4]+	231.18154	159.6
[M+K]+	252.11088	152.9
[M-H]-	212.14044	156.4
[M+Na-2H]-	234.12239	154.2
[M]+	213.14717	152.8
[M]-	213.14827	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe