CID 80197228

7-bromo-1-methyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula
C9H11BrN2
SMILES
CN1CCNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C9H11BrN2/c1-12-5-4-11-8-3-2-7(10)6-9(8)12/h2-3,6,11H,4-5H2,1H3
InChIKey
AQBNWIOESLEWRM-UHFFFAOYSA-N
Compound name
6-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

226.01056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01784 141.5
[M+Na]+ 248.99978 152.8
[M-H]- 225.00328 144.6
[M+NH4]+ 244.04438 161.4
[M+K]+ 264.97372 140.9
[M+H-H2O]+ 209.00782 141.2
[M+HCOO]- 271.00876 157.0
[M+CH3COO]- 285.02441 155.3
[M+Na-2H]- 246.98523 150.0
[M]+ 226.01001 156.3
[M]- 226.01111 156.3
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