CID 24692066

2-bromo-n-(butan-2-yl)-3-methylbutanamide

Structural Information

Molecular Formula
C9H18BrNO
SMILES
CCC(C)NC(=O)C(C(C)C)Br
InChI
InChI=1S/C9H18BrNO/c1-5-7(4)11-9(12)8(10)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)
InChIKey
FOIQOQJYXJRHIR-UHFFFAOYSA-N
Compound name
2-bromo-N-butan-2-yl-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05717 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06445 151.5
[M+Na]+ 258.04639 159.4
[M-H]- 234.04989 154.0
[M+NH4]+ 253.09099 172.4
[M+K]+ 274.02033 149.7
[M+H-H2O]+ 218.05443 150.9
[M+HCOO]- 280.05537 169.2
[M+CH3COO]- 294.07102 194.6
[M+Na-2H]- 256.03184 153.0
[M]+ 235.05662 169.2
[M]- 235.05772 169.2
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

No patent data available for this compound.