CID 76788

1,4-cyclohexanebis(methylamine), n-(cyclohexyl)-n'-(cyclohexylmethyl)-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C21H40N2
SMILES
C1CCC(CC1)CNCC2CCC(CC2)CNC3CCCCC3
InChI
InChI=1S/C21H40N2/c1-3-7-18(8-4-1)15-22-16-19-11-13-20(14-12-19)17-23-21-9-5-2-6-10-21/h18-23H,1-17H2
InChIKey
CZHZYGNXXUFURI-UHFFFAOYSA-N
Compound name
N-[[4-[(cyclohexylmethylamino)methyl]cyclohexyl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.31915 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.326426 181.7
[M+Na]+ 343.308368 176.4
[M-H]- 319.311874 186.7
[M+NH4]+ 338.352973 193.6
[M+K]+ 359.282308 171.9
[M+H-H2O]+ 303.316410 171.6
[M+HCOO]- 365.317351 193.9
[M+CH3COO]- 379.333001 213.2
[M+Na-2H]- 341.293816 179.5
[M]+ 320.31860142 166.6
[M]- 320.31969858 166.6
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