CID 84690333

1823562-09-9

Structural Information

Molecular Formula
C10H12BrN
SMILES
CC1=C(C=CC2=C1CCNC2)Br
InChI
InChI=1S/C10H12BrN/c1-7-9-4-5-12-6-8(9)2-3-10(7)11/h2-3,12H,4-6H2,1H3
InChIKey
PXKOTIPOXNSLKM-UHFFFAOYSA-N
Compound name
6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 142.6
[M+Na]+ 248.00452 153.4
[M-H]- 224.00802 146.9
[M+NH4]+ 243.04912 163.8
[M+K]+ 263.97846 141.4
[M+H-H2O]+ 208.01256 142.8
[M+HCOO]- 270.01350 158.8
[M+CH3COO]- 284.02915 156.6
[M+Na-2H]- 245.98997 150.4
[M]+ 225.01475 157.1
[M]- 225.01585 157.1
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.