CID 220998

2-bromobutanamide

Structural Information

Molecular Formula
C4H8BrNO
SMILES
CCC(C(=O)N)Br
InChI
InChI=1S/C4H8BrNO/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H2,6,7)
InChIKey
AKSLRYGHJVUELA-UHFFFAOYSA-N
Compound name
2-bromobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

164.97893 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.98621 126.6
[M+Na]+ 187.96815 126.9
[M+NH4]+ 183.01275 130.8
[M+K]+ 203.94209 128.8
[M-H]- 163.97165 124.9
[M+Na-2H]- 185.95360 127.3
[M]+ 164.97838 124.6
[M]- 164.97948 124.6
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

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