CID 3981432

2-(3-iodophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12IN
SMILES
C1CC(NC1)C2=CC(=CC=C2)I
InChI
InChI=1S/C10H12IN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2
InChIKey
GOTZSBYCEAUXCK-UHFFFAOYSA-N
Compound name
2-(3-iodophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

273.00146 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00874 141.3
[M+Na]+ 295.99068 140.8
[M-H]- 271.99418 137.7
[M+NH4]+ 291.03528 156.4
[M+K]+ 311.96462 143.1
[M+H-H2O]+ 255.99872 131.0
[M+HCOO]- 317.99966 157.0
[M+CH3COO]- 332.01531 149.6
[M+Na-2H]- 293.97613 133.7
[M]+ 273.00091 133.7
[M]- 273.00201 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