CID 102585

Trans-n,n'-bis((tetrahydro-2h-pyran-2-yl)methyl)-1,4-cyclohexane bis(methylamine)

Structural Information

Molecular Formula
C20H38N2O2
SMILES
C1CCOC(C1)CNCC2CCC(CC2)CNCC3CCCCO3
InChI
InChI=1S/C20H38N2O2/c1-3-11-23-19(5-1)15-21-13-17-7-9-18(10-8-17)14-22-16-20-6-2-4-12-24-20/h17-22H,1-16H2
InChIKey
NYHMXTNOLRKDDX-UHFFFAOYSA-N
Compound name
N-(oxan-2-ylmethyl)-1-[4-[(oxan-2-ylmethylamino)methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.29333 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.30061 186.4
[M+Na]+ 361.28255 181.7
[M-H]- 337.28605 192.9
[M+NH4]+ 356.32715 194.9
[M+K]+ 377.25649 180.4
[M+H-H2O]+ 321.29059 176.2
[M+HCOO]- 383.29153 197.5
[M+CH3COO]- 397.30718 214.8
[M+Na-2H]- 359.26800 186.3
[M]+ 338.29278 175.1
[M]- 338.29388 175.1
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

No patent data available for this compound.