CID 112696117

6-bromo-1-(2-methoxyethyl)-1h-indole

Structural Information

Molecular Formula
C11H12BrNO
SMILES
COCCN1C=CC2=C1C=C(C=C2)Br
InChI
InChI=1S/C11H12BrNO/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3
InChIKey
OLHORQQSBCVCLR-UHFFFAOYSA-N
Compound name
6-bromo-1-(2-methoxyethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

253.01022 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 148.2
[M+Na]+ 275.99944 162.0
[M-H]- 252.00294 154.8
[M+NH4]+ 271.04404 171.1
[M+K]+ 291.97338 150.9
[M+H-H2O]+ 236.00748 148.2
[M+HCOO]- 298.00842 170.7
[M+CH3COO]- 312.02407 191.3
[M+Na-2H]- 273.98489 156.3
[M]+ 253.00967 170.9
[M]- 253.01077 170.9
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

patents stripe