CID 252506

N-(2-hydroxyethyl)butyramide

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCCC(=O)NCCO
InChI
InChI=1S/C6H13NO2/c1-2-3-6(9)7-4-5-8/h8H,2-5H2,1H3,(H,7,9)
InChIKey
ZWHVMTQUUANYQJ-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

131.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.9
[M+Na]+ 154.083858 134.9
[M-H]- 130.087364 127.8
[M+NH4]+ 149.128463 150.0
[M+K]+ 170.057798 134.5
[M+H-H2O]+ 114.091900 124.1
[M+HCOO]- 176.092841 151.9
[M+CH3COO]- 190.108491 172.5
[M+Na-2H]- 152.069306 134.3
[M]+ 131.09409142 128.9
[M]- 131.09518858 128.9
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