CID 15274381

2-(7-bromo-1h-indol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H11BrN2
SMILES
C1=CC2=C(C(=C1)Br)NC=C2CCN
InChI
InChI=1S/C10H11BrN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2
InChIKey
KCFKOLYEDFGSRL-UHFFFAOYSA-N
Compound name
2-(7-bromo-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

238.01056 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01784 145.3
[M+Na]+ 260.99978 158.2
[M-H]- 237.00328 150.1
[M+NH4]+ 256.04438 167.4
[M+K]+ 276.97372 145.2
[M+H-H2O]+ 221.00782 145.0
[M+HCOO]- 283.00876 166.8
[M+CH3COO]- 297.02441 160.2
[M+Na-2H]- 258.98523 152.8
[M]+ 238.01001 162.9
[M]- 238.01111 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe