CID 3034149

4767-14-0

Structural Information

Molecular Formula
C7H17NO3
SMILES
C(CN(CCO)CCO)CO
InChI
InChI=1S/C7H17NO3/c9-5-1-2-8(3-6-10)4-7-11/h9-11H,1-7H2
InChIKey
BIHLHMHULOMJLI-UHFFFAOYSA-N
Compound name
3-[bis(2-hydroxyethyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

663
Patents

163.12085 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12813 137.8
[M+Na]+ 186.11007 142.5
[M-H]- 162.11357 134.9
[M+NH4]+ 181.15467 156.7
[M+K]+ 202.08401 141.9
[M+H-H2O]+ 146.11811 132.5
[M+HCOO]- 208.11905 158.9
[M+CH3COO]- 222.13470 176.6
[M+Na-2H]- 184.09552 142.1
[M]+ 163.12030 138.4
[M]- 163.12140 138.4
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.