CID 10016010

5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C10H11BrN2O2
SMILES
CN1CCC2=C(C=CC(=C2C1)[N+](=O)[O-])Br
InChI
InChI=1S/C10H11BrN2O2/c1-12-5-4-7-8(6-12)10(13(14)15)3-2-9(7)11/h2-3H,4-6H2,1H3
InChIKey
DXRCGGKIRYSZQP-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

270.0004 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00768 151.7
[M+Na]+ 292.98962 162.2
[M-H]- 268.99312 157.5
[M+NH4]+ 288.03422 171.0
[M+K]+ 308.96356 147.5
[M+H-H2O]+ 252.99766 155.2
[M+HCOO]- 314.99860 170.4
[M+CH3COO]- 329.01425 190.0
[M+Na-2H]- 290.97507 160.2
[M]+ 269.99985 167.9
[M]- 270.00095 167.9
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