CID 34879

1-cyclohexyl-3-guanidinoazetidine sulfate

Structural Information

Molecular Formula
C10H20N4
SMILES
C1CCC(CC1)N=C(N)NC2CNC2
InChI
InChI=1S/C10H20N4/c11-10(14-9-6-12-7-9)13-8-4-2-1-3-5-8/h8-9,12H,1-7H2,(H3,11,13,14)
InChIKey
NUNKAQTVTYJCAO-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-2-cyclohexylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.1688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.176076 147.4
[M+Na]+ 219.158018 146.8
[M-H]- 195.161524 150.2
[M+NH4]+ 214.202623 156.8
[M+K]+ 235.131958 148.3
[M+H-H2O]+ 179.166060 132.8
[M+HCOO]- 241.167001 165.5
[M+CH3COO]- 255.182651 192.3
[M+Na-2H]- 217.143466 150.0
[M]+ 196.16825142 144.9
[M]- 196.16934858 144.9
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.