CID 3055665

1-benzylamino-3-cycloheptyloxy-2-propanol maleate

Structural Information

Molecular Formula
C17H27NO2
SMILES
C1CCCC(CC1)OCC(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C17H27NO2/c19-16(13-18-12-15-8-4-3-5-9-15)14-20-17-10-6-1-2-7-11-17/h3-5,8-9,16-19H,1-2,6-7,10-14H2
InChIKey
QCLJIEHIVBBYTE-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-cycloheptyloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 167.8
[M+Na]+ 300.19342 175.2
[M+NH4]+ 295.23802 174.7
[M+K]+ 316.16736 169.9
[M-H]- 276.19692 171.0
[M+Na-2H]- 298.17887 173.3
[M]+ 277.20365 169.5
[M]- 277.20475 169.5
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.