CID 3084623

N,n'-dicyclohexyl-n-methylcarbodiimidium iodide

Structural Information

Molecular Formula
C14H25N2
SMILES
CN(C#[N+]C1CCCCC1)C2CCCCC2
InChI
InChI=1S/C14H25N2/c1-16(14-10-6-3-7-11-14)12-15-13-8-4-2-5-9-13/h13-14H,2-11H2,1H3/q+1
InChIKey
RSSFYLGZQQQZRE-UHFFFAOYSA-N
Compound name
N-cyclohexyl-1-[cyclohexyl(methyl)amino]formonitrilium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

221.20177 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.20905 156.1
[M+Na]+ 244.19099 159.4
[M-H]- 220.19449 161.1
[M+NH4]+ 239.23559 171.9
[M+K]+ 260.16493 150.5
[M+H-H2O]+ 204.19903 144.8
[M+HCOO]- 266.19997 170.2
[M+CH3COO]- 280.21562 197.6
[M+Na-2H]- 242.17644 159.5
[M]+ 221.20122 141.9
[M]- 221.20232 141.9
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

patents stripe