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]+ 254.01750 148.6
[M+Na]+ 275.99944 162.8
[M-H]- 252.00294 154.2
[M+NH4]+ 271.04404 171.1
[M+K]+ 291.97338 150.8
[M+H-H2O]+ 236.00748 149.0
[M+HCOO]- 298.00842 169.6
[M+CH3COO]- 312.02407 190.0
[M+Na-2H]- 273.98489 155.6
[M]+ 253.00967 169.9
[M]- 253.01077 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.