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]+ 220.033156 146.3
[M+Na]+ 242.015098 156.2
[M-H]- 218.018604 150.9
[M+NH4]+ 237.059703 168.8
[M+K]+ 257.989038 146.6
[M+H-H2O]+ 202.023140 146.7
[M+HCOO]- 264.024081 163.4
[M+CH3COO]- 278.039731 183.9
[M+Na-2H]- 240.000546 151.1
[M]+ 219.02533142 162.4
[M]- 219.02642858 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