CID 15956148

1-(1-adamantyl)-3-(ethoxymethyl)guanidine

Structural Information

Molecular Formula
C14H25N3O
SMILES
CCOC/N=C(\N)/NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H25N3O/c1-2-18-9-16-13(15)17-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,2-9H2,1H3,(H3,15,16,17)
InChIKey
FSVNOSNQMIXRDW-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-(ethoxymethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.19977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.20705 156.0
[M+Na]+ 274.18899 155.7
[M-H]- 250.19249 151.1
[M+NH4]+ 269.23359 179.3
[M+K]+ 290.16293 153.7
[M+H-H2O]+ 234.19703 149.5
[M+HCOO]- 296.19797 165.8
[M+CH3COO]- 310.21362 163.5
[M+Na-2H]- 272.17444 166.7
[M]+ 251.19922 155.0
[M]- 251.20032 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.