CID 137699022

3-(2-bromoethyl)-5,5-dimethylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H14BrNO
SMILES
CC1(CC(C(=O)N1)CCBr)C
InChI
InChI=1S/C8H14BrNO/c1-8(2)5-6(3-4-9)7(11)10-8/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
JEZQSZNTUQPAFK-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-5,5-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.02588 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 148.5
[M+Na]+ 242.01510 149.1
[M+NH4]+ 237.05970 153.8
[M+K]+ 257.98904 149.2
[M-H]- 218.01860 147.1
[M+Na-2H]- 240.00055 149.6
[M]+ 219.02533 146.9
[M]- 219.02643 146.9
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