CID 3055675

2-propanol, 1-benzylamino-3-cyclooctyloxy-, maleate

Structural Information

Molecular Formula
C18H29NO2
SMILES
C1CCCC(CCC1)OCC(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C18H29NO2/c20-17(14-19-13-16-9-5-4-6-10-16)15-21-18-11-7-2-1-3-8-12-18/h4-6,9-10,17-20H,1-3,7-8,11-15H2
InChIKey
FSCKWSAKCPSFOM-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-cyclooctyloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 159.6
[M+Na]+ 314.20904 161.5
[M-H]- 290.21254 161.2
[M+NH4]+ 309.25364 165.8
[M+K]+ 330.18298 161.0
[M+H-H2O]+ 274.21708 155.0
[M+HCOO]- 336.21802 167.4
[M+CH3COO]- 350.23367 230.3
[M+Na-2H]- 312.19449 158.7
[M]+ 291.21927 157.2
[M]- 291.22037 157.2
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.