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]+ 197.17608 147.4
[M+Na]+ 219.15802 146.8
[M-H]- 195.16152 150.2
[M+NH4]+ 214.20262 156.8
[M+K]+ 235.13196 148.3
[M+H-H2O]+ 179.16606 132.8
[M+HCOO]- 241.16700 165.5
[M+CH3COO]- 255.18265 192.3
[M+Na-2H]- 217.14347 150.0
[M]+ 196.16825 144.9
[M]- 196.16935 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.