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

13
Patents

273.00146 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00874 142.2
[M+Na]+ 295.99068 144.0
[M-H]- 271.99418 142.7
[M+NH4]+ 291.03528 153.2
[M+K]+ 311.96462 146.4
[M+H-H2O]+ 255.99872 132.1
[M+HCOO]- 317.99966 162.6
[M+CH3COO]- 332.01531 193.0
[M+Na-2H]- 293.97613 137.9
[M]+ 273.00091 140.8
[M]- 273.00201 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