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

23
Patents

261.00146 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.008736 145.6
[M+Na]+ 283.990678 145.7
[M-H]- 259.994184 141.7
[M+NH4]+ 279.035283 161.3
[M+K]+ 299.964618 148.9
[M+H-H2O]+ 243.998720 136.1
[M+HCOO]- 305.999661 164.9
[M+CH3COO]- 320.015311 188.1
[M+Na-2H]- 281.976126 139.3
[M]+ 261.00091142 141.6
[M]- 261.00200858 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