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]+ 321.32643 181.7
[M+Na]+ 343.30837 176.4
[M-H]- 319.31187 186.7
[M+NH4]+ 338.35297 193.6
[M+K]+ 359.28231 171.9
[M+H-H2O]+ 303.31641 171.6
[M+HCOO]- 365.31735 193.9
[M+CH3COO]- 379.33300 213.2
[M+Na-2H]- 341.29382 179.5
[M]+ 320.31860 166.6
[M]- 320.31970 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