CID 3055677

2-propanol, 1-cyclohexylamino-3-cyclooctyloxy-, 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]+ 284.258406 160.9
[M+Na]+ 306.240348 161.6
[M-H]- 282.243854 162.1
[M+NH4]+ 301.284953 167.2
[M+K]+ 322.214288 161.6
[M+H-H2O]+ 266.248390 156.4
[M+HCOO]- 328.249331 166.9
[M+CH3COO]- 342.264981 229.5
[M+Na-2H]- 304.225796 158.8
[M]+ 283.25058142 156.5
[M]- 283.25167858 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.