CID 71758542

1443981-32-5

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₂

SMILES

C1CCCC2(CC1)OCC(O2)CN=C(N)N

InChI

InChI=1S/C11H21N3O2/c12-10(13)14-7-9-8-15-11(16-9)5-3-1-2-4-6-11/h9H,1-8H2,(H4,12,13,14)

InChIKey

LLTTXPQVCIGSAJ-UHFFFAOYSA-N

Compound name

2-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.16338 Da
Monoisotopic Mass: 0.5
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]+	228.17066	150.9
[M+Na]+	250.15260	151.5
[M-H]-	226.15610	157.6
[M+NH4]+	245.19720	167.4
[M+K]+	266.12654	155.6
[M+H-H2O]+	210.16064	143.6
[M+HCOO]-	272.16158	169.7
[M+CH3COO]-	286.17723	195.6
[M+Na-2H]-	248.13805	154.5
[M]+	227.16283	141.0
[M]-	227.16393	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe