CID 11183719

5-bromo-3,3-dimethyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C10H12BrN
SMILES
CC1(CNC2=C1C=C(C=C2)Br)C
InChI
InChI=1S/C10H12BrN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5,12H,6H2,1-2H3
InChIKey
CPLGFHHNPVKTBM-UHFFFAOYSA-N
Compound name
5-bromo-3,3-dimethyl-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

225.0153 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.022576 143.3
[M+Na]+ 248.004518 156.3
[M-H]- 224.008024 148.5
[M+NH4]+ 243.049123 168.4
[M+K]+ 263.978458 144.4
[M+H-H2O]+ 208.012560 144.6
[M+HCOO]- 270.013501 161.9
[M+CH3COO]- 284.029151 158.5
[M+Na-2H]- 245.989966 150.6
[M]+ 225.01475142 160.3
[M]- 225.01584858 160.3
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