CID 90459

N-(2-hydroxyethyl)-3-oxobutanamide

Structural Information

Molecular Formula
C6H11NO3
SMILES
CC(=O)CC(=O)NCCO
InChI
InChI=1S/C6H11NO3/c1-5(9)4-6(10)7-2-3-8/h8H,2-4H2,1H3,(H,7,10)
InChIKey
CYLHYHWFVOHKMK-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

145.0739 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 131.0
[M+Na]+ 168.06312 138.6
[M+NH4]+ 163.10772 136.9
[M+K]+ 184.03706 135.4
[M-H]- 144.06662 128.7
[M+Na-2H]- 166.04857 132.7
[M]+ 145.07335 130.8
[M]- 145.07445 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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