CID 3055677

1-cyclohexylamino-3-cyclooctyloxy-2-propanol maleate

Structural Information

Molecular Formula
C17H33NO2
SMILES
C1CCCC(CCC1)OCC(CNC2CCCCC2)O
InChI
InChI=1S/C17H33NO2/c19-16(13-18-15-9-5-4-6-10-15)14-20-17-11-7-2-1-3-8-12-17/h15-19H,1-14H2
InChIKey
WANIAARUEBGCNL-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-3-cyclooctyloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.25113 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.25841 160.9
[M+Na]+ 306.24035 161.6
[M-H]- 282.24385 162.1
[M+NH4]+ 301.28495 167.2
[M+K]+ 322.21429 161.6
[M+H-H2O]+ 266.24839 156.4
[M+HCOO]- 328.24933 166.9
[M+CH3COO]- 342.26498 229.5
[M+Na-2H]- 304.22580 158.8
[M]+ 283.25058 156.5
[M]- 283.25168 156.5
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

No patent data available for this compound.