CID 105502106

7-bromo-n-ethyl-2,3-dihydro-1h-inden-1-amine

Structural Information

Molecular Formula
C11H14BrN
SMILES
CCNC1CCC2=C1C(=CC=C2)Br
InChI
InChI=1S/C11H14BrN/c1-2-13-10-7-6-8-4-3-5-9(12)11(8)10/h3-5,10,13H,2,6-7H2,1H3
InChIKey
ZUNSXPDOXLXWJX-UHFFFAOYSA-N
Compound name
7-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 149.4
[M+Na]+ 262.02018 160.4
[M-H]- 238.02368 156.4
[M+NH4]+ 257.06478 173.4
[M+K]+ 277.99412 148.7
[M+H-H2O]+ 222.02822 149.5
[M+HCOO]- 284.02916 170.9
[M+CH3COO]- 298.04481 192.0
[M+Na-2H]- 260.00563 155.7
[M]+ 239.03041 166.6
[M]- 239.03151 166.6
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.