CID 57634300

2-bromo-2-methyl-1-(pyrrolidin-1-yl)propan-1-one

Structural Information

Molecular Formula
C8H14BrNO
SMILES
CC(C)(C(=O)N1CCCC1)Br
InChI
InChI=1S/C8H14BrNO/c1-8(2,9)7(11)10-5-3-4-6-10/h3-6H2,1-2H3
InChIKey
XVYDHYZSNIGUAO-UHFFFAOYSA-N
Compound name
2-bromo-2-methyl-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.02588 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 146.3
[M+Na]+ 242.01510 156.2
[M-H]- 218.01860 150.9
[M+NH4]+ 237.05970 168.8
[M+K]+ 257.98904 146.6
[M+H-H2O]+ 202.02314 146.7
[M+HCOO]- 264.02408 163.4
[M+CH3COO]- 278.03973 183.9
[M+Na-2H]- 240.00055 151.1
[M]+ 219.02533 162.4
[M]- 219.02643 162.4
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