CID 53408462

7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
C1CNC(C2=C1C=CC(=C2)Br)C(=O)O
InChI
InChI=1S/C10H10BrNO2/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7/h1-2,5,9,12H,3-4H2,(H,13,14)
InChIKey
NCUGWXAJTCNZBN-UHFFFAOYSA-N
Compound name
7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98949 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 146.2
[M+Na]+ 277.97871 148.7
[M+NH4]+ 273.02331 150.6
[M+K]+ 293.95265 149.3
[M-H]- 253.98221 145.7
[M+Na-2H]- 275.96416 147.8
[M]+ 254.98894 145.0
[M]- 254.99004 145.0
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.