CID 209678

20110-56-9

Structural Information

Molecular Formula
C9H12IN
SMILES
CC(CC1=CC(=CC=C1)I)N
InChI
InChI=1S/C9H12IN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
InChIKey
SSMQECSVMNPOLS-UHFFFAOYSA-N
Compound name
1-(3-iodophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.00146 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00874 145.8
[M+Na]+ 283.99068 145.6
[M-H]- 259.99418 141.9
[M+NH4]+ 279.03528 161.4
[M+K]+ 299.96462 149.3
[M+H-H2O]+ 243.99872 136.3
[M+HCOO]- 305.99966 164.1
[M+CH3COO]- 320.01531 188.9
[M+Na-2H]- 281.97613 138.2
[M]+ 261.00091 141.1
[M]- 261.00201 141.1
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.