CID 95456

N-ethyl-2-hydroxypropanamide

Structural Information

Molecular Formula
C5H11NO2
SMILES
CCNC(=O)C(C)O
InChI
InChI=1S/C5H11NO2/c1-3-6-5(8)4(2)7/h4,7H,3H2,1-2H3,(H,6,8)
InChIKey
PWHWWMHNXSWQLD-UHFFFAOYSA-N
Compound name
N-ethyl-2-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

235
Patents

117.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 124.8
[M+Na]+ 140.068198 131.0
[M-H]- 116.071704 124.0
[M+NH4]+ 135.112803 146.4
[M+K]+ 156.042138 131.3
[M+H-H2O]+ 100.076240 120.3
[M+HCOO]- 162.077181 147.1
[M+CH3COO]- 176.092831 170.3
[M+Na-2H]- 138.053646 129.5
[M]+ 117.07843142 123.7
[M]- 117.07952858 123.7
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