CID 3055667

2-propanol, 1-cycloheptyloxy-3-cyclohexylamino-, maleate

Structural Information

Molecular Formula
C16H31NO2
SMILES
C1CCCC(CC1)OCC(CNC2CCCCC2)O
InChI
InChI=1S/C16H31NO2/c18-15(12-17-14-8-4-3-5-9-14)13-19-16-10-6-1-2-7-11-16/h14-18H,1-13H2
InChIKey
MEAWLTQFLXBPDE-UHFFFAOYSA-N
Compound name
1-cycloheptyloxy-3-(cyclohexylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.23547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.242746 164.6
[M+Na]+ 292.224688 161.0
[M-H]- 268.228194 167.8
[M+NH4]+ 287.269293 177.6
[M+K]+ 308.198628 163.1
[M+H-H2O]+ 252.232730 157.4
[M+HCOO]- 314.233671 178.0
[M+CH3COO]- 328.249321 198.3
[M+Na-2H]- 290.210136 164.1
[M]+ 269.23492142 152.7
[M]- 269.23601858 152.7
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.