CID 20465

2,3-epoxy-3-methylbutyramide

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1(C(O1)C(=O)N)C
InChI
InChI=1S/C5H9NO2/c1-5(2)3(8-5)4(6)7/h3H,1-2H3,(H2,6,7)
InChIKey
VHQRLFJQBSEHIY-UHFFFAOYSA-N
Compound name
3,3-dimethyloxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

115.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.3
[M+Na]+ 138.05255 134.9
[M+NH4]+ 133.09715 133.1
[M+K]+ 154.02649 131.1
[M-H]- 114.05605 132.4
[M+Na-2H]- 136.03800 131.4
[M]+ 115.06278 128.6
[M]- 115.06388 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe