CID 70864832

1-(3-iodophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12IN
SMILES
C1CCN(C1)C2=CC(=CC=C2)I
InChI
InChI=1S/C10H12IN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKey
QDIBLUKQSRZPKN-UHFFFAOYSA-N
Compound name
1-(3-iodophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

273.00146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.008736 139.8
[M+Na]+ 295.990678 139.7
[M-H]- 271.994184 137.5
[M+NH4]+ 291.035283 155.6
[M+K]+ 311.964618 142.9
[M+H-H2O]+ 255.998720 129.2
[M+HCOO]- 317.999661 156.9
[M+CH3COO]- 332.015311 148.8
[M+Na-2H]- 293.976126 132.7
[M]+ 273.00091142 134.0
[M]- 273.00200858 134.0
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