CID 3583204

2-(4-iodophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H12IN
SMILES
C1CC(NC1)C2=CC=C(C=C2)I
InChI
InChI=1S/C10H12IN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChIKey
RJUPNYAFIYEVMY-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.00146 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.008736 141.3
[M+Na]+ 295.990678 140.8
[M-H]- 271.994184 137.7
[M+NH4]+ 291.035283 156.4
[M+K]+ 311.964618 143.1
[M+H-H2O]+ 255.998720 131.0
[M+HCOO]- 317.999661 157.0
[M+CH3COO]- 332.015311 149.6
[M+Na-2H]- 293.976126 133.7
[M]+ 273.00091142 133.7
[M]- 273.00200858 133.7
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