CID 63788571

3-bromo-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C13H16BrNO
SMILES
CC1=CC(=C(C(=C1)C)N2CCC(C2=O)Br)C
InChI
InChI=1S/C13H16BrNO/c1-8-6-9(2)12(10(3)7-8)15-5-4-11(14)13(15)16/h6-7,11H,4-5H2,1-3H3
InChIKey
HPDOQSIHHINQIG-UHFFFAOYSA-N
Compound name
3-bromo-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04153 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04881 157.1
[M+Na]+ 304.03075 170.0
[M-H]- 280.03425 165.8
[M+NH4]+ 299.07535 178.2
[M+K]+ 320.00469 158.4
[M+H-H2O]+ 264.03879 156.9
[M+HCOO]- 326.03973 176.5
[M+CH3COO]- 340.05538 198.6
[M+Na-2H]- 302.01620 158.9
[M]+ 281.04098 175.6
[M]- 281.04208 175.6
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.