CID 532135

7160-08-9

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CC(C)C(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKey
AVQYIQZFJLEKGK-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

241.01022 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 146.2
[M+Na]+ 263.999438 156.1
[M-H]- 240.002944 152.4
[M+NH4]+ 259.044043 167.0
[M+K]+ 279.973378 145.3
[M+H-H2O]+ 224.007480 145.6
[M+HCOO]- 286.008421 167.2
[M+CH3COO]- 300.024071 192.3
[M+Na-2H]- 261.984886 151.8
[M]+ 241.00967142 163.9
[M]- 241.01076858 163.9
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