CID 53213609

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

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CC1=CC(=CC=C1)N2CCC(C2=O)Br
InChI
InChI=1S/C11H12BrNO/c1-8-3-2-4-9(7-8)13-6-5-10(12)11(13)14/h2-4,7,10H,5-6H2,1H3
InChIKey
ZDGWUMCZYDAGHV-UHFFFAOYSA-N
Compound name
3-bromo-1-(3-methylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01022 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 152.1
[M+Na]+ 275.99944 155.5
[M+NH4]+ 271.04404 157.1
[M+K]+ 291.97338 156.1
[M-H]- 252.00294 153.6
[M+Na-2H]- 273.98489 155.3
[M]+ 253.00967 151.7
[M]- 253.01077 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.