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

35
Patents

269.00513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 153.0
[M+Na]+ 291.99435 164.3
[M-H]- 267.99785 159.9
[M+NH4]+ 287.03895 173.1
[M+K]+ 307.96829 152.8
[M+H-H2O]+ 252.00239 152.7
[M+HCOO]- 314.00333 171.8
[M+CH3COO]- 328.01898 190.3
[M+Na-2H]- 289.97980 156.6
[M]+ 269.00458 169.7
[M]- 269.00568 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