CID 24729508

1-acetyl-7-bromoindolin-5-amine

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
CC(=O)N1CCC2=C1C(=CC(=C2)N)Br
InChI
InChI=1S/C10H11BrN2O/c1-6(14)13-3-2-7-4-8(12)5-9(11)10(7)13/h4-5H,2-3,12H2,1H3
InChIKey
DSPOGIZSYHNAPN-UHFFFAOYSA-N
Compound name
1-(5-amino-7-bromo-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 150.4
[M+Na]+ 276.99470 162.6
[M-H]- 252.99820 156.3
[M+NH4]+ 272.03930 172.5
[M+K]+ 292.96864 151.1
[M+H-H2O]+ 237.00274 150.0
[M+HCOO]- 299.00368 169.9
[M+CH3COO]- 313.01933 193.5
[M+Na-2H]- 274.98015 154.6
[M]+ 254.00493 167.3
[M]- 254.00603 167.3
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

No patent data available for this compound.