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]+ 274.00874 142.8
[M+Na]+ 295.99068 141.3
[M-H]- 271.99418 142.0
[M+NH4]+ 291.03528 152.0
[M+K]+ 311.96462 147.3
[M+H-H2O]+ 255.99872 127.9
[M+HCOO]- 317.99966 160.8
[M+CH3COO]- 332.01531 192.8
[M+Na-2H]- 293.97613 137.4
[M]+ 273.00091 145.6
[M]- 273.00201 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.