CID 3055667

1-cycloheptyloxy-3-cyclohexylamino-2-propanol 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]+ 270.24275 164.6
[M+Na]+ 292.22469 161.0
[M-H]- 268.22819 167.8
[M+NH4]+ 287.26929 177.6
[M+K]+ 308.19863 163.1
[M+H-H2O]+ 252.23273 157.4
[M+HCOO]- 314.23367 178.0
[M+CH3COO]- 328.24932 198.3
[M+Na-2H]- 290.21014 164.1
[M]+ 269.23492 152.7
[M]- 269.23602 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.