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 165.3
[M+Na]+ 300.19342 164.3
[M-H]- 276.19692 169.5
[M+NH4]+ 295.23802 178.4
[M+K]+ 316.16736 165.9
[M+H-H2O]+ 260.20146 158.2
[M+HCOO]- 322.20240 182.6
[M+CH3COO]- 336.21805 200.0
[M+Na-2H]- 298.17887 167.1
[M]+ 277.20365 157.9
[M]- 277.20475 157.9
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.