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

4
Patents

269.00513 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 152.0
[M+Na]+ 291.99435 163.8
[M-H]- 267.99785 160.3
[M+NH4]+ 287.03895 172.9
[M+K]+ 307.96829 153.2
[M+H-H2O]+ 252.00239 151.5
[M+HCOO]- 314.00333 172.3
[M+CH3COO]- 328.01898 192.7
[M+Na-2H]- 289.97980 156.1
[M]+ 269.00458 170.5
[M]- 269.00568 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