CID 83946664

1553872-14-2

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CC1=CN(C2=C1C=CC(=C2)Br)CCO
InChI
InChI=1S/C11H12BrNO/c1-8-7-13(4-5-14)11-6-9(12)2-3-10(8)11/h2-3,6-7,14H,4-5H2,1H3
InChIKey
LNEIFXHHKSYIDY-UHFFFAOYSA-N
Compound name
2-(6-bromo-3-methylindol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01022 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.017496 148.6
[M+Na]+ 275.999438 162.8
[M-H]- 252.002944 154.2
[M+NH4]+ 271.044043 171.1
[M+K]+ 291.973378 150.8
[M+H-H2O]+ 236.007480 149.0
[M+HCOO]- 298.008421 169.6
[M+CH3COO]- 312.024071 190.0
[M+Na-2H]- 273.984886 155.6
[M]+ 253.00967142 169.9
[M]- 253.01076858 169.9
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.