CID 59674348

911228-68-7

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC(C)C(=O)N(C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C11H14BrNO/c1-8(2)11(14)13(3)10-6-4-9(12)5-7-10/h4-8H,1-3H3
InChIKey
XRTMTDWGDVQMPO-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-N,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

255.02588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 150.3
[M+Na]+ 278.015098 159.9
[M-H]- 254.018604 157.7
[M+NH4]+ 273.059703 171.2
[M+K]+ 293.989038 150.3
[M+H-H2O]+ 238.023140 149.4
[M+HCOO]- 300.024081 171.4
[M+CH3COO]- 314.039731 198.5
[M+Na-2H]- 276.000546 154.7
[M]+ 255.02533142 169.5
[M]- 255.02642858 169.5
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

patents stripe