CID 13098388

86626-40-6

Structural Information

Molecular Formula
C9H10BrN
SMILES
CN1CCC2=C1C=CC=C2Br
InChI
InChI=1S/C9H10BrN/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-4H,5-6H2,1H3
InChIKey
VGVPPNCJTNJKAS-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

210.99966 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 139.6
[M+Na]+ 233.988878 152.5
[M-H]- 209.992384 145.9
[M+NH4]+ 229.033483 164.0
[M+K]+ 249.962818 141.7
[M+H-H2O]+ 193.996920 140.2
[M+HCOO]- 255.997861 159.9
[M+CH3COO]- 270.013511 155.4
[M+Na-2H]- 231.974326 146.8
[M]+ 210.99911142 157.6
[M]- 211.00020858 157.6
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