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]+ 274.00874 139.8
[M+Na]+ 295.99068 139.7
[M-H]- 271.99418 137.5
[M+NH4]+ 291.03528 155.6
[M+K]+ 311.96462 142.9
[M+H-H2O]+ 255.99872 129.2
[M+HCOO]- 317.99966 156.9
[M+CH3COO]- 332.01531 148.8
[M+Na-2H]- 293.97613 132.7
[M]+ 273.00091 134.0
[M]- 273.00201 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