CID 18473297

186520-00-3

Structural Information

Molecular Formula
C9H10BrN
SMILES
CC1=C(C=CC2=C1NCC2)Br
InChI
InChI=1S/C9H10BrN/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2-3,11H,4-5H2,1H3
InChIKey
JCTUCTVNFGEPHV-UHFFFAOYSA-N
Compound name
6-bromo-7-methyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

210.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 140.5
[M+Na]+ 233.988878 153.0
[M-H]- 209.992384 145.5
[M+NH4]+ 229.033483 164.2
[M+K]+ 249.962818 141.2
[M+H-H2O]+ 193.996920 141.3
[M+HCOO]- 255.997861 159.3
[M+CH3COO]- 270.013511 155.7
[M+Na-2H]- 231.974326 147.3
[M]+ 210.99911142 156.8
[M]- 211.00020858 156.8
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