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]+ 193.98113 132.0
[M+Na]+ 215.96307 141.9
[M-H]- 191.96657 135.8
[M+NH4]+ 211.00767 151.7
[M+K]+ 231.93701 132.7
[M+H-H2O]+ 175.97111 132.2
[M+HCOO]- 237.97205 148.2
[M+CH3COO]- 251.98770 175.6
[M+Na-2H]- 213.94852 140.0
[M]+ 192.97330 146.8
[M]- 192.97440 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.