CID 252887

3-(bromomethyl)-1-methyl-1,2-dihydroquinoxalin-2-one

Structural Information

Molecular Formula
C10H9BrN2O
SMILES
CN1C2=CC=CC=C2N=C(C1=O)CBr
InChI
InChI=1S/C10H9BrN2O/c1-13-9-5-3-2-4-7(9)12-8(6-11)10(13)14/h2-5H,6H2,1H3
InChIKey
UADIEAODWPWLFL-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

251.98982 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99710 142.7
[M+Na]+ 274.97904 157.0
[M-H]- 250.98254 148.1
[M+NH4]+ 270.02364 162.7
[M+K]+ 290.95298 145.3
[M+H-H2O]+ 234.98708 142.1
[M+HCOO]- 296.98802 162.3
[M+CH3COO]- 311.00367 191.7
[M+Na-2H]- 272.96449 152.5
[M]+ 251.98927 163.3
[M]- 251.99037 163.3
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