CID 24694424

2-bromo-n-(2,3-dihydro-1h-inden-5-yl)-3-methylbutanamide

Structural Information

Molecular Formula
C14H18BrNO
SMILES
CC(C)C(C(=O)NC1=CC2=C(CCC2)C=C1)Br
InChI
InChI=1S/C14H18BrNO/c1-9(2)13(15)14(17)16-12-7-6-10-4-3-5-11(10)8-12/h6-9,13H,3-5H2,1-2H3,(H,16,17)
InChIKey
KMAGDRPNUCRDQP-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,3-dihydro-1H-inden-5-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0572 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06448 168.0
[M+Na]+ 318.04642 176.1
[M-H]- 294.04992 174.3
[M+NH4]+ 313.09102 189.1
[M+K]+ 334.02036 165.0
[M+H-H2O]+ 278.05446 167.4
[M+HCOO]- 340.05540 185.9
[M+CH3COO]- 354.07105 202.3
[M+Na-2H]- 316.03187 169.7
[M]+ 295.05665 184.5
[M]- 295.05775 184.5
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.