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]+ 193.98113 131.9
[M+Na]+ 215.96307 144.3
[M-H]- 191.96657 137.1
[M+NH4]+ 211.00767 155.6
[M+K]+ 231.93701 135.1
[M+H-H2O]+ 175.97111 132.3
[M+HCOO]- 237.97205 152.5
[M+CH3COO]- 251.98770 179.0
[M+Na-2H]- 213.94852 137.6
[M]+ 192.97330 150.1
[M]- 192.97440 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