CID 9993255

1-(4-bromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
C1C(CN(C1=O)C2=CC=C(C=C2)Br)CO
InChI
InChI=1S/C11H12BrNO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2
InChIKey
NYPDNSSFCQKXQG-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

269.00513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 153.0
[M+Na]+ 291.994348 164.3
[M-H]- 267.997854 159.9
[M+NH4]+ 287.038953 173.1
[M+K]+ 307.968288 152.8
[M+H-H2O]+ 252.002390 152.7
[M+HCOO]- 314.003331 171.8
[M+CH3COO]- 328.018981 190.3
[M+Na-2H]- 289.979796 156.6
[M]+ 269.00458142 169.7
[M]- 269.00567858 169.7
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