CID 100032

66354-56-1

Structural Information

Molecular Formula
C15H33NO4
SMILES
CCCCCCCCOCC(CN(CCO)CCO)O
InChI
InChI=1S/C15H33NO4/c1-2-3-4-5-6-7-12-20-14-15(19)13-16(8-10-17)9-11-18/h15,17-19H,2-14H2,1H3
InChIKey
JORAAGBFBOAQTI-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxyethyl)amino]-3-octoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

291.24097 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.24825 174.6
[M+Na]+ 314.23019 179.2
[M+NH4]+ 309.27479 178.5
[M+K]+ 330.20413 175.0
[M-H]- 290.23369 171.3
[M+Na-2H]- 312.21564 173.2
[M]+ 291.24042 173.7
[M]- 291.24152 173.7
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

patents stripe