CID 130066589

1427389-90-9

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
CC1=C(C=CC(=C1)Br)N2CCOCC2=O
InChI
InChI=1S/C11H12BrNO2/c1-8-6-9(12)2-3-10(8)13-4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKey
BZHSBFSAKNORQC-UHFFFAOYSA-N
Compound name
4-(4-bromo-2-methylphenyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 151.0
[M+Na]+ 291.99435 161.8
[M-H]- 267.99785 159.4
[M+NH4]+ 287.03895 168.8
[M+K]+ 307.96829 152.1
[M+H-H2O]+ 252.00239 150.1
[M+HCOO]- 314.00333 168.3
[M+CH3COO]- 328.01898 193.1
[M+Na-2H]- 289.97980 157.3
[M]+ 269.00458 168.1
[M]- 269.00568 168.1
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

No patent data available for this compound.