CID 21422535

Einecs 284-795-1

Structural Information

Molecular Formula
C7H17NO4
SMILES
C(CO)N(CCO)CC(CO)O
InChI
InChI=1S/C7H17NO4/c9-3-1-8(2-4-10)5-7(12)6-11/h7,9-12H,1-6H2
InChIKey
KDISOQKLYCBGFY-UHFFFAOYSA-N
Compound name
3-[bis(2-hydroxyethyl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

179.11575 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.123026 141.3
[M+Na]+ 202.104968 145.3
[M-H]- 178.108474 137.0
[M+NH4]+ 197.149573 158.7
[M+K]+ 218.078908 144.9
[M+H-H2O]+ 162.113010 136.0
[M+HCOO]- 224.113951 160.1
[M+CH3COO]- 238.129601 177.2
[M+Na-2H]- 200.090416 143.8
[M]+ 179.11520142 140.8
[M]- 179.11629858 140.8
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