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]+ 268.033156 153.3
[M+Na]+ 290.015098 165.7
[M-H]- 266.018604 161.8
[M+NH4]+ 285.059703 174.6
[M+K]+ 305.989038 154.3
[M+H-H2O]+ 250.023140 153.0
[M+HCOO]- 312.024081 173.1
[M+CH3COO]- 326.039731 194.7
[M+Na-2H]- 288.000546 156.2
[M]+ 267.02533142 171.1
[M]- 267.02642858 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.