CID 131116502

7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C10H12BrN
SMILES
CC1=CC(=CC2=C1CCNC2)Br
InChI
InChI=1S/C10H12BrN/c1-7-4-9(11)5-8-6-12-3-2-10(7)8/h4-5,12H,2-3,6H2,1H3
InChIKey
VVSDOVQZYRMVFW-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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

No literature data available for this compound.

Patent stripe

patents stripe