CID 102747

N,n'-(1,4-cyclohexenylene)bis(cyclohexanemethylamine) diacetate

Structural Information

Molecular Formula
C22H40N2
SMILES
C1CCC(CC1)CNCC2CCC(=CC2)CNCC3CCCCC3
InChI
InChI=1S/C22H40N2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20/h11,19-20,22-24H,1-10,12-18H2
InChIKey
AKFDCABKJQZMJA-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[[4-[(cyclohexylmethylamino)methyl]cyclohex-3-en-1-yl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.31915 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.326426 184.4
[M+Na]+ 355.308368 179.6
[M-H]- 331.311874 189.6
[M+NH4]+ 350.352973 195.9
[M+K]+ 371.282308 174.7
[M+H-H2O]+ 315.316410 174.1
[M+HCOO]- 377.317351 197.8
[M+CH3COO]- 391.333001 215.8
[M+Na-2H]- 353.293816 182.8
[M]+ 332.31860142 171.0
[M]- 332.31969858 171.0
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