CID 132344069

2-(bromomethyl)morpholin-3-one

Structural Information

Molecular Formula
C5H8BrNO2
SMILES
C1COC(C(=O)N1)CBr
InChI
InChI=1S/C5H8BrNO2/c6-3-4-5(8)7-1-2-9-4/h4H,1-3H2,(H,7,8)
InChIKey
YVQBJYBFTFUXMQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.97385 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.981126 132.0
[M+Na]+ 215.963068 141.9
[M-H]- 191.966574 135.8
[M+NH4]+ 211.007673 151.7
[M+K]+ 231.937008 132.7
[M+H-H2O]+ 175.971110 132.2
[M+HCOO]- 237.972051 148.2
[M+CH3COO]- 251.987701 175.6
[M+Na-2H]- 213.948516 140.0
[M]+ 192.97330142 146.8
[M]- 192.97439858 146.8
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

No patent data available for this compound.