CID 28978255

N-cyclopentyl-2-iodoaniline

Structural Information

Molecular Formula
C11H14IN
SMILES
C1CCC(C1)NC2=CC=CC=C2I
InChI
InChI=1S/C11H14IN/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9,13H,1-2,5-6H2
InChIKey
HBLOAVMELLBZKA-UHFFFAOYSA-N
Compound name
N-cyclopentyl-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

287.0171 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02438 148.5
[M+Na]+ 310.00632 147.1
[M-H]- 286.00982 147.4
[M+NH4]+ 305.05092 164.6
[M+K]+ 325.98026 150.0
[M+H-H2O]+ 270.01436 138.3
[M+HCOO]- 332.01530 167.3
[M+CH3COO]- 346.03095 190.9
[M+Na-2H]- 307.99177 140.9
[M]+ 287.01655 141.8
[M]- 287.01765 141.8
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