CID 44405495

7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromide

Structural Information

Molecular Formula
C10H12BrN
SMILES
CC1CC2=C(CN1)C=C(C=C2)Br
InChI
InChI=1S/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3
InChIKey
ROFNCPGXJWHJIZ-UHFFFAOYSA-N
Compound name
7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

225.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.022576 142.6
[M+Na]+ 248.004518 153.4
[M-H]- 224.008024 146.9
[M+NH4]+ 243.049123 163.8
[M+K]+ 263.978458 141.4
[M+H-H2O]+ 208.012560 142.8
[M+HCOO]- 270.013501 158.8
[M+CH3COO]- 284.029151 156.6
[M+Na-2H]- 245.989966 150.4
[M]+ 225.01475142 157.1
[M]- 225.01584858 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

literature stripe

Patent stripe

patents stripe