CID 19845146

N-(3-hydroxybutan-2-yl)acetamide

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C(C)O)NC(=O)C
InChI
InChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)
InChIKey
ZCGNIFXXTKDQRT-UHFFFAOYSA-N
Compound name
N-(3-hydroxybutan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

17
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 129.7
[M+Na]+ 154.083858 135.3
[M-H]- 130.087364 128.8
[M+NH4]+ 149.128463 150.7
[M+K]+ 170.057798 135.9
[M+H-H2O]+ 114.091900 125.1
[M+HCOO]- 176.092841 150.7
[M+CH3COO]- 190.108491 174.3
[M+Na-2H]- 152.069306 132.5
[M]+ 131.09409142 128.4
[M]- 131.09518858 128.4
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