CID 71303927

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

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1(CNCC2=C1C=C(C=C2)Br)C
InChI
InChI=1S/C11H14BrN/c1-11(2)7-13-6-8-3-4-9(12)5-10(8)11/h3-5,13H,6-7H2,1-2H3
InChIKey
XUBWHPFDYPZSEV-UHFFFAOYSA-N
Compound name
6-bromo-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.03096 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 145.8
[M+Na]+ 262.02018 157.1
[M-H]- 238.02368 150.4
[M+NH4]+ 257.06478 168.4
[M+K]+ 277.99412 145.2
[M+H-H2O]+ 222.02822 146.5
[M+HCOO]- 284.02916 161.8
[M+CH3COO]- 298.04481 159.9
[M+Na-2H]- 260.00563 154.2
[M]+ 239.03041 161.1
[M]- 239.03151 161.1
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

patents stripe