CID 75360945

1379363-44-6

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CC1=CC(=CC2=C1NC(=O)C2(C)C)Br
InChI
InChI=1S/C11H12BrNO/c1-6-4-7(12)5-8-9(6)13-10(14)11(8,2)3/h4-5H,1-3H3,(H,13,14)
InChIKey
UQWXOURJMWOOIM-UHFFFAOYSA-N
Compound name
5-bromo-3,3,7-trimethyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01022 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 147.5
[M+Na]+ 275.99944 161.9
[M-H]- 252.00294 153.2
[M+NH4]+ 271.04404 171.9
[M+K]+ 291.97338 149.6
[M+H-H2O]+ 236.00748 149.0
[M+HCOO]- 298.00842 166.0
[M+CH3COO]- 312.02407 190.4
[M+Na-2H]- 273.98489 153.3
[M]+ 253.00967 166.2
[M]- 253.01077 166.2
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

No patent data available for this compound.