CID 121597589

6-(bromomethyl)-4-methylmorpholin-3-one

Structural Information

Molecular Formula
C6H10BrNO2
SMILES
CN1CC(OCC1=O)CBr
InChI
InChI=1S/C6H10BrNO2/c1-8-3-5(2-7)10-4-6(8)9/h5H,2-4H2,1H3
InChIKey
DQTKNGAIJDMEGT-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-4-methylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.98949 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.99677 134.9
[M+Na]+ 229.97871 145.8
[M-H]- 205.98221 140.3
[M+NH4]+ 225.02331 155.1
[M+K]+ 245.95265 137.3
[M+H-H2O]+ 189.98675 134.9
[M+HCOO]- 251.98769 152.2
[M+CH3COO]- 266.00334 182.0
[M+Na-2H]- 227.96416 142.3
[M]+ 206.98894 152.2
[M]- 206.99004 152.2
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.