CID 131506

132367-76-1

Structural Information

Molecular Formula
C9H10IN
SMILES
C1C(CC2=C1C=CC(=C2)I)N
InChI
InChI=1S/C9H10IN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
InChIKey
BIHPYCDDPGNWQO-UHFFFAOYSA-N
Compound name
5-iodo-2,3-dihydro-1H-inden-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2418
Patents

258.9858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99308 137.6
[M+Na]+ 281.97502 139.0
[M-H]- 257.97852 134.8
[M+NH4]+ 277.01962 156.2
[M+K]+ 297.94896 141.8
[M+H-H2O]+ 241.98306 128.9
[M+HCOO]- 303.98400 156.4
[M+CH3COO]- 317.99965 187.0
[M+Na-2H]- 279.96047 131.1
[M]+ 258.98525 132.3
[M]- 258.98635 132.3
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