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

352
Patents

164.97893 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.986206 128.0
[M+Na]+ 187.968148 138.3
[M-H]- 163.971654 130.7
[M+NH4]+ 183.012753 151.3
[M+K]+ 203.942088 128.6
[M+H-H2O]+ 147.976190 128.1
[M+HCOO]- 209.977131 148.6
[M+CH3COO]- 223.992781 178.8
[M+Na-2H]- 185.953596 133.6
[M]+ 164.97838142 144.3
[M]- 164.97947858 144.3
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