CID 23130221

1808271-73-9

Structural Information

Molecular Formula
C9H10IN
SMILES
C1CC1(C2=CC=C(C=C2)I)N
InChI
InChI=1S/C9H10IN/c10-8-3-1-7(2-4-8)9(11)5-6-9/h1-4H,5-6,11H2
InChIKey
LSKQMYZRANBMEL-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

258.9858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99308 139.1
[M+Na]+ 281.97502 142.0
[M-H]- 257.97852 139.8
[M+NH4]+ 277.01962 152.2
[M+K]+ 297.94896 145.2
[M+H-H2O]+ 241.98306 130.2
[M+HCOO]- 303.98400 158.9
[M+CH3COO]- 317.99965 189.3
[M+Na-2H]- 279.96047 135.2
[M]+ 258.98525 136.8
[M]- 258.98635 136.8
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