CID 3084623

N,n'-dicyclohexyl-n-methylcarbodiimidium iodide

Structural Information

Molecular Formula
C14H25N2
SMILES
CN([C+]=NC1CCCCC1)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-(cyclohexyliminomethyl)-N-methylcyclohexanamine
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 155.7
[M+Na]+ 244.19099 155.0
[M-H]- 220.19449 162.6
[M+NH4]+ 239.23559 173.3
[M+K]+ 260.16493 148.7
[M+H-H2O]+ 204.19903 150.0
[M+HCOO]- 266.19997 175.2
[M+CH3COO]- 280.21562 191.8
[M+Na-2H]- 242.17644 160.1
[M]+ 221.20122 145.8
[M]- 221.20232 145.8
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