CID 13900226

3-bromo-1-methoxypyrrolidin-2-one

Structural Information

Molecular Formula
C5H8BrNO2
SMILES
CON1CCC(C1=O)Br
InChI
InChI=1S/C5H8BrNO2/c1-9-7-3-2-4(6)5(7)8/h4H,2-3H2,1H3
InChIKey
ZIGBEYWHKOXLDB-UHFFFAOYSA-N
Compound name
3-bromo-1-methoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

192.97385 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.981126 131.9
[M+Na]+ 215.963068 144.3
[M-H]- 191.966574 137.1
[M+NH4]+ 211.007673 155.6
[M+K]+ 231.937008 135.1
[M+H-H2O]+ 175.971110 132.3
[M+HCOO]- 237.972051 152.5
[M+CH3COO]- 251.987701 179.0
[M+Na-2H]- 213.948516 137.6
[M]+ 192.97330142 150.1
[M]- 192.97439858 150.1
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