CID 169866

Schembl9161412

Structural Information

Molecular Formula
C15H33NO6
SMILES
C(CO)COCCN(CCOCCCO)CCOCCCO
InChI
InChI=1S/C15H33NO6/c17-7-1-10-20-13-4-16(5-14-21-11-2-8-18)6-15-22-12-3-9-19/h17-19H,1-15H2
InChIKey
FDCWERGDFBPCQG-UHFFFAOYSA-N
Compound name
3-[2-[bis[2-(3-hydroxypropoxy)ethyl]amino]ethoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

323.23077 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.238046 179.1
[M+Na]+ 346.219988 180.0
[M-H]- 322.223494 174.5
[M+NH4]+ 341.264593 191.3
[M+K]+ 362.193928 179.3
[M+H-H2O]+ 306.228030 171.5
[M+HCOO]- 368.228971 198.3
[M+CH3COO]- 382.244621 206.8
[M+Na-2H]- 344.205436 179.8
[M]+ 323.23022142 187.1
[M]- 323.23131858 187.1
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

patents stripe