CID 65499358

2411267-07-5

Structural Information

Molecular Formula
C8H10IN
SMILES
CNCC1=CC=C(C=C1)I
InChI
InChI=1S/C8H10IN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey
PKIUBCFWCKZLSV-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

246.9858 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99308 137.6
[M+Na]+ 269.97502 142.8
[M+NH4]+ 265.01962 142.8
[M+K]+ 285.94896 138.9
[M-H]- 245.97852 134.8
[M+Na-2H]- 267.96047 132.9
[M]+ 246.98525 136.5
[M]- 246.98635 136.5
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