CID 13059952

1,1'-iminobis(3-(cyclopentyloxy)-2-propanol)

Structural Information

Molecular Formula
C16H31NO4
SMILES
C1CCC(C1)OCC(CNCC(COC2CCCC2)O)O
InChI
InChI=1S/C16H31NO4/c18-13(11-20-15-5-1-2-6-15)9-17-10-14(19)12-21-16-7-3-4-8-16/h13-19H,1-12H2
InChIKey
RGTZCVPBHMNGFH-UHFFFAOYSA-N
Compound name
1-cyclopentyloxy-3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2253 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.23258 176.0
[M+Na]+ 324.21452 174.4
[M-H]- 300.21802 177.6
[M+NH4]+ 319.25912 191.6
[M+K]+ 340.18846 172.9
[M+H-H2O]+ 284.22256 168.8
[M+HCOO]- 346.22350 192.0
[M+CH3COO]- 360.23915 199.5
[M+Na-2H]- 322.19997 171.8
[M]+ 301.22475 171.4
[M]- 301.22585 171.4
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.