CID 24705484

2-bromo-n-(2,3-dimethylphenyl)-3-methylbutanamide

Structural Information

Molecular Formula
C13H18BrNO
SMILES
CC1=C(C(=CC=C1)NC(=O)C(C(C)C)Br)C
InChI
InChI=1S/C13H18BrNO/c1-8(2)12(14)13(16)15-11-7-5-6-9(3)10(11)4/h5-8,12H,1-4H3,(H,15,16)
InChIKey
UDJXCQKCPQCICF-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,3-dimethylphenyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0572 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06448 159.6
[M+Na]+ 306.04642 168.8
[M-H]- 282.04992 165.7
[M+NH4]+ 301.09102 179.0
[M+K]+ 322.02036 157.8
[M+H-H2O]+ 266.05446 158.6
[M+HCOO]- 328.05540 178.6
[M+CH3COO]- 342.07105 202.8
[M+Na-2H]- 304.03187 161.7
[M]+ 283.05665 178.0
[M]- 283.05775 178.0
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.