CID 65500304

1-(4-bromo-2,6-dimethylphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H14BrNO
SMILES
CC1=CC(=CC(=C1N2CCCC2=O)C)Br
InChI
InChI=1S/C12H14BrNO/c1-8-6-10(13)7-9(2)12(8)14-5-3-4-11(14)15/h6-7H,3-5H2,1-2H3
InChIKey
JLEMODKQEZKEJG-UHFFFAOYSA-N
Compound name
1-(4-bromo-2,6-dimethylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02588 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03316 153.3
[M+Na]+ 290.01510 165.7
[M-H]- 266.01860 161.8
[M+NH4]+ 285.05970 174.6
[M+K]+ 305.98904 154.3
[M+H-H2O]+ 250.02314 153.0
[M+HCOO]- 312.02408 173.1
[M+CH3COO]- 326.03973 194.7
[M+Na-2H]- 288.00055 156.2
[M]+ 267.02533 171.1
[M]- 267.02643 171.1
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

No patent data available for this compound.