CID 235850

2-ethylbutyramide

Structural Information

Molecular Formula
C6H13NO
SMILES
CCC(CC)C(=O)N
InChI
InChI=1S/C6H13NO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKey
QVEMWYGBLHQEAK-UHFFFAOYSA-N
Compound name
2-ethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7893
Patents

115.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 126.1
[M+Na]+ 138.08894 132.3
[M-H]- 114.09244 126.0
[M+NH4]+ 133.13354 148.2
[M+K]+ 154.06288 132.4
[M+H-H2O]+ 98.096980 121.4
[M+HCOO]- 160.09792 148.7
[M+CH3COO]- 174.11357 174.0
[M+Na-2H]- 136.07439 129.7
[M]+ 115.09917 124.9
[M]- 115.10027 124.9
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