CID 2774050

2-bromo-n-(2,6-dimethylphenyl)propanamide

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(C)Br
InChI
InChI=1S/C11H14BrNO/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,1-3H3,(H,13,14)
InChIKey
SIWFSHGMQMQXJE-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,6-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

255.02588 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 150.1
[M+Na]+ 278.015098 160.4
[M-H]- 254.018604 156.4
[M+NH4]+ 273.059703 170.6
[M+K]+ 293.989038 149.4
[M+H-H2O]+ 238.023140 149.4
[M+HCOO]- 300.024081 170.7
[M+CH3COO]- 314.039731 196.3
[M+Na-2H]- 276.000546 154.4
[M]+ 255.02533142 168.4
[M]- 255.02642858 168.4
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