CID 18978774

3-bromo-1-(2-methoxyphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
COC1=CC=CC=C1N2CCC(C2=O)Br
InChI
InChI=1S/C11H12BrNO2/c1-15-10-5-3-2-4-9(10)13-7-6-8(12)11(13)14/h2-5,8H,6-7H2,1H3
InChIKey
WLECSZULVRGCDE-UHFFFAOYSA-N
Compound name
3-bromo-1-(2-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.00513 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 152.0
[M+Na]+ 291.994348 163.8
[M-H]- 267.997854 160.3
[M+NH4]+ 287.038953 172.9
[M+K]+ 307.968288 153.2
[M+H-H2O]+ 252.002390 151.5
[M+HCOO]- 314.003331 172.3
[M+CH3COO]- 328.018981 192.7
[M+Na-2H]- 289.979796 156.1
[M]+ 269.00458142 170.5
[M]- 269.00567858 170.5
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