CID 150681

N-benzyl-2-bromo-n-methylacetamide

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CN(CC1=CC=CC=C1)C(=O)CBr
InChI
InChI=1S/C10H12BrNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
XIBVVIAYYYFAAI-UHFFFAOYSA-N
Compound name
N-benzyl-2-bromo-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

241.01022 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 146.1
[M+Na]+ 263.99944 155.5
[M-H]- 240.00294 153.2
[M+NH4]+ 259.04404 167.3
[M+K]+ 279.97338 145.7
[M+H-H2O]+ 224.00748 145.2
[M+HCOO]- 286.00842 168.5
[M+CH3COO]- 300.02407 193.8
[M+Na-2H]- 261.98489 152.8
[M]+ 241.00967 165.3
[M]- 241.01077 165.3
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