CID 76848707

6-bromo-4-methyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C10H12BrN
SMILES
CC1CNCC2=C1C=C(C=C2)Br
InChI
InChI=1S/C10H12BrN/c1-7-5-12-6-8-2-3-9(11)4-10(7)8/h2-4,7,12H,5-6H2,1H3
InChIKey
NGKXMSWDWPWIML-UHFFFAOYSA-N
Compound name
6-bromo-4-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 141.0
[M+Na]+ 248.00452 145.2
[M+NH4]+ 243.04912 147.1
[M+K]+ 263.97846 143.9
[M-H]- 224.00802 142.3
[M+Na-2H]- 245.98997 144.4
[M]+ 225.01475 140.8
[M]- 225.01585 140.8
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