CID 11984030

916903-14-5

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

38
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 140.5
[M+Na]+ 233.98888 153.0
[M-H]- 209.99238 145.5
[M+NH4]+ 229.03348 164.2
[M+K]+ 249.96282 141.2
[M+H-H2O]+ 193.99692 141.3
[M+HCOO]- 255.99786 159.3
[M+CH3COO]- 270.01351 155.7
[M+Na-2H]- 231.97433 147.3
[M]+ 210.99911 156.8
[M]- 211.00021 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