CID 68424

Isobutyramide

Structural Information

Molecular Formula
C4H9NO
SMILES
CC(C)C(=O)N
InChI
InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChIKey
WFKAJVHLWXSISD-UHFFFAOYSA-N
Compound name
2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

101
References

99211
Patents

87.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 116.7
[M+Na]+ 110.05763 123.7
[M-H]- 86.061134 116.9
[M+NH4]+ 105.10223 139.9
[M+K]+ 126.03157 124.4
[M+H-H2O]+ 70.065670 112.4
[M+HCOO]- 132.06661 139.9
[M+CH3COO]- 146.08226 167.9
[M+Na-2H]- 108.04308 121.4
[M]+ 87.067861 114.8
[M]- 87.068959 114.8
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