CID 43560342

N-(cyclopropylmethyl)-2-iodoaniline

Structural Information

Molecular Formula
C10H12IN
SMILES
C1CC1CNC2=CC=CC=C2I
InChI
InChI=1S/C10H12IN/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8,12H,5-7H2
InChIKey
FXSRSHXMWZJOGA-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

273.00146 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.008736 142.2
[M+Na]+ 295.990678 144.0
[M-H]- 271.994184 142.7
[M+NH4]+ 291.035283 153.2
[M+K]+ 311.964618 146.4
[M+H-H2O]+ 255.998720 132.1
[M+HCOO]- 317.999661 162.6
[M+CH3COO]- 332.015311 193.0
[M+Na-2H]- 293.976126 137.9
[M]+ 273.00091142 140.8
[M]- 273.00200858 140.8
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