CID 137964346

N'-[(adamantan-2-yl)methyl]-n-ethylguanidine

Structural Information

Molecular Formula
C14H25N3
SMILES
CCNC(=NCC1C2CC3CC(C2)CC1C3)N
InChI
InChI=1S/C14H25N3/c1-2-16-14(15)17-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,2-8H2,1H3,(H3,15,16,17)
InChIKey
GKPMCHKJTWWYLH-UHFFFAOYSA-N
Compound name
2-(2-adamantylmethyl)-1-ethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.20485 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.21213 153.6
[M+Na]+ 258.19407 153.1
[M-H]- 234.19757 149.0
[M+NH4]+ 253.23867 176.0
[M+K]+ 274.16801 150.7
[M+H-H2O]+ 218.20211 147.6
[M+HCOO]- 280.20305 163.4
[M+CH3COO]- 294.21870 161.2
[M+Na-2H]- 256.17952 162.5
[M]+ 235.20430 151.2
[M]- 235.20540 151.2
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.