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]+ 236.212126 153.6
[M+Na]+ 258.194068 153.1
[M-H]- 234.197574 149.0
[M+NH4]+ 253.238673 176.0
[M+K]+ 274.168008 150.7
[M+H-H2O]+ 218.202110 147.6
[M+HCOO]- 280.203051 163.4
[M+CH3COO]- 294.218701 161.2
[M+Na-2H]- 256.179516 162.5
[M]+ 235.20430142 151.2
[M]- 235.20539858 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

literature stripe

Patent stripe

No patent data available for this compound.