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

0
Patents

332.31915 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 190.6
[M+Na]+ 355.30837 198.2
[M+NH4]+ 350.35297 199.6
[M+K]+ 371.28231 188.7
[M-H]- 331.31187 198.2
[M+Na-2H]- 353.29382 196.1
[M]+ 332.31860 193.5
[M]- 332.31970 193.5
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