CID 61777352

N-cyclobutyl-2-iodoaniline hydrochloride

Structural Information

Molecular Formula
C10H12IN
SMILES
C1CC(C1)NC2=CC=CC=C2I
InChI
InChI=1S/C10H12IN/c11-9-6-1-2-7-10(9)12-8-4-3-5-8/h1-2,6-8,12H,3-5H2
InChIKey
MIUUQGQJJOSLGZ-UHFFFAOYSA-N
Compound name
N-cyclobutyl-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.00146 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.008736 142.8
[M+Na]+ 295.990678 141.3
[M-H]- 271.994184 142.0
[M+NH4]+ 291.035283 152.0
[M+K]+ 311.964618 147.3
[M+H-H2O]+ 255.998720 127.9
[M+HCOO]- 317.999661 160.8
[M+CH3COO]- 332.015311 192.8
[M+Na-2H]- 293.976126 137.4
[M]+ 273.00091142 145.6
[M]- 273.00200858 145.6
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

No patent data available for this compound.