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]+ 292.227096 159.6
[M+Na]+ 314.209038 161.5
[M-H]- 290.212544 161.2
[M+NH4]+ 309.253643 165.8
[M+K]+ 330.182978 161.0
[M+H-H2O]+ 274.217080 155.0
[M+HCOO]- 336.218021 167.4
[M+CH3COO]- 350.233671 230.3
[M+Na-2H]- 312.194486 158.7
[M]+ 291.21927142 157.2
[M]- 291.22036858 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.