CID 11984030

(r)-5-bromo-2-methylindoline

Structural Information

Molecular Formula
C9H10BrN
SMILES
CC1CC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C9H10BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3
InChIKey
NSBOZWGQLGHLQZ-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

210.99966 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 141.7
[M+Na]+ 233.98888 144.9
[M+NH4]+ 229.03348 147.5
[M+K]+ 249.96282 145.5
[M-H]- 209.99238 142.1
[M+Na-2H]- 231.97433 144.0
[M]+ 210.99911 141.0
[M]- 211.00021 141.0
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

patents stripe