CID 13404591

Cyclohexylamine, n,n'-((3,3-oxetanediyl)dimethylene)bis-

Structural Information

Molecular Formula
C17H32N2O
SMILES
C1CCC(CC1)NCC2(COC2)CNC3CCCCC3
InChI
InChI=1S/C17H32N2O/c1-3-7-15(8-4-1)18-11-17(13-20-14-17)12-19-16-9-5-2-6-10-16/h15-16,18-19H,1-14H2
InChIKey
IROKWDYFNLWRDQ-UHFFFAOYSA-N
Compound name
N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.25146 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.25874 164.8
[M+Na]+ 303.24068 161.5
[M-H]- 279.24418 171.5
[M+NH4]+ 298.28528 172.9
[M+K]+ 319.21462 163.3
[M+H-H2O]+ 263.24872 150.9
[M+HCOO]- 325.24966 179.0
[M+CH3COO]- 339.26531 205.7
[M+Na-2H]- 301.22613 167.6
[M]+ 280.25091 163.1
[M]- 280.25201 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.