CID 71758542

1-{1,4-dioxaspiro[4.6]undecan-2-ylmethyl}guanidine hydroiodide

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17066 157.4
[M+Na]+ 250.15260 161.2
[M+NH4]+ 245.19720 164.9
[M+K]+ 266.12654 158.9
[M-H]- 226.15610 162.1
[M+Na-2H]- 248.13805 160.2
[M]+ 227.16283 158.9
[M]- 227.16393 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.