CID 36162

4-(2-guanidinoethyl)-4-azahomoadamantane dihydrochloride

Structural Information

Molecular Formula
C13H24N4
SMILES
C1C2CC3CC1CC(C2)NC3CCN=C(N)N
InChI
InChI=1S/C13H24N4/c14-13(15)16-2-1-12-10-4-8-3-9(5-10)7-11(6-8)17-12/h8-12,17H,1-7H2,(H4,14,15,16)
InChIKey
CTELSAKEAZAJPZ-UHFFFAOYSA-N
Compound name
2-[2-(4-azatricyclo[4.3.1.13,8]undecan-5-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.2001 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.20738 162.7
[M+Na]+ 259.18932 168.0
[M-H]- 235.19282 161.7
[M+NH4]+ 254.23392 181.4
[M+K]+ 275.16326 164.9
[M+H-H2O]+ 219.19736 161.4
[M+HCOO]- 281.19830 171.0
[M+CH3COO]- 295.21395 169.9
[M+Na-2H]- 257.17477 170.5
[M]+ 236.19955 157.7
[M]- 236.20065 157.7
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.