CID 3055665

2-propanol, 1-benzylamino-3-cycloheptyloxy-, 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]+ 278.211476 165.3
[M+Na]+ 300.193418 164.3
[M-H]- 276.196924 169.5
[M+NH4]+ 295.238023 178.4
[M+K]+ 316.167358 165.9
[M+H-H2O]+ 260.201460 158.2
[M+HCOO]- 322.202401 182.6
[M+CH3COO]- 336.218051 200.0
[M+Na-2H]- 298.178866 167.1
[M]+ 277.20365142 157.9
[M]- 277.20474858 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.