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

557
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

literature stripe

Patent stripe

patents stripe