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 121.3
[M+Na]+ 138.05255 131.8
[M-H]- 114.05605 127.2
[M+NH4]+ 133.09715 139.5
[M+K]+ 154.02649 132.4
[M+H-H2O]+ 98.060590 117.1
[M+HCOO]- 160.06153 144.4
[M+CH3COO]- 174.07718 174.9
[M+Na-2H]- 136.03800 129.0
[M]+ 115.06278 124.8
[M]- 115.06388 124.8
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