CID 102745

N,n'-dicyclohexyl-1,4-cyclohexenebis(methylamine) diacetate

Structural Information

Molecular Formula
C20H36N2
SMILES
C1CCC(CC1)NCC2CCC(=CC2)CNC3CCCCC3
InChI
InChI=1S/C20H36N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h11,18-22H,1-10,12-16H2
InChIKey
DALIBKPKTHOHBM-UHFFFAOYSA-N
Compound name
N-[[4-[(cyclohexylamino)methyl]cyclohex-3-en-1-yl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.28784 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.29512 176.1
[M+Na]+ 327.27706 172.2
[M-H]- 303.28056 181.7
[M+NH4]+ 322.32166 188.8
[M+K]+ 343.25100 167.7
[M+H-H2O]+ 287.28510 166.2
[M+HCOO]- 349.28604 190.1
[M+CH3COO]- 363.30169 209.8
[M+Na-2H]- 325.26251 175.5
[M]+ 304.28729 162.0
[M]- 304.28839 162.0
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