CID 120758

3-(2-guanidinoethyl)-3-azabicyclo(3.2.2)nonane sulfate (2:1)

Structural Information

Molecular Formula
C11H22N4
SMILES
C1CC2CCC1CN(C2)CCN=C(N)N
InChI
InChI=1S/C11H22N4/c12-11(13)14-5-6-15-7-9-1-2-10(8-15)4-3-9/h9-10H,1-8H2,(H4,12,13,14)
InChIKey
ULXMXQFKDMBKPO-UHFFFAOYSA-N
Compound name
2-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

210.18445 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.19173 154.2
[M+Na]+ 233.17367 159.9
[M-H]- 209.17717 154.7
[M+NH4]+ 228.21827 173.3
[M+K]+ 249.14761 159.0
[M+H-H2O]+ 193.18171 152.4
[M+HCOO]- 255.18265 166.8
[M+CH3COO]- 269.19830 162.9
[M+Na-2H]- 231.15912 162.7
[M]+ 210.18390 150.0
[M]- 210.18500 150.0
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

patents stripe