CID 87097

2-hydroxy-n,n-bis(2-hydroxyethyl)acetamide

Structural Information

Molecular Formula
C6H13NO4
SMILES
C(CO)N(CCO)C(=O)CO
InChI
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)6(11)5-10/h8-10H,1-5H2
InChIKey
AFRFYMZFIJPPDD-UHFFFAOYSA-N
Compound name
2-hydroxy-N,N-bis(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

39
Patents

163.08446 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.091736 135.1
[M+Na]+ 186.073678 140.3
[M-H]- 162.077184 132.5
[M+NH4]+ 181.118283 153.9
[M+K]+ 202.047618 140.4
[M+H-H2O]+ 146.081720 130.0
[M+HCOO]- 208.082661 156.0
[M+CH3COO]- 222.098311 175.1
[M+Na-2H]- 184.059126 138.7
[M]+ 163.08391142 135.4
[M]- 163.08500858 135.4
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