CID 437300

3-(4-iodophenyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H12IN
SMILES
C1=CC(=CC=C1CCCN)I
InChI
InChI=1S/C9H12IN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
InChIKey
NJVIPCUXBHUAII-UHFFFAOYSA-N
Compound name
3-(4-iodophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

261.00146 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00874 145.6
[M+Na]+ 283.99068 145.7
[M-H]- 259.99418 141.7
[M+NH4]+ 279.03528 161.3
[M+K]+ 299.96462 148.9
[M+H-H2O]+ 243.99872 136.1
[M+HCOO]- 305.99966 164.9
[M+CH3COO]- 320.01531 188.1
[M+Na-2H]- 281.97613 139.3
[M]+ 261.00091 141.6
[M]- 261.00201 141.6
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

patents stripe