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
3
Annotation Hits

1
References

35
Patents

163.08446 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 135.1
[M+Na]+ 186.07368 140.3
[M-H]- 162.07718 132.5
[M+NH4]+ 181.11828 153.9
[M+K]+ 202.04762 140.4
[M+H-H2O]+ 146.08172 130.0
[M+HCOO]- 208.08266 156.0
[M+CH3COO]- 222.09831 175.1
[M+Na-2H]- 184.05913 138.7
[M]+ 163.08391 135.4
[M]- 163.08501 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