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

1
Patents

219.02588 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.033156 141.3
[M+Na]+ 242.015098 153.0
[M-H]- 218.018604 145.1
[M+NH4]+ 237.059703 165.4
[M+K]+ 257.989038 141.9
[M+H-H2O]+ 202.023140 142.6
[M+HCOO]- 264.024081 159.5
[M+CH3COO]- 278.039731 182.7
[M+Na-2H]- 240.000546 146.3
[M]+ 219.02533142 157.9
[M]- 219.02642858 157.9
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