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

32
Patents

246.9858 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.993076 139.1
[M+Na]+ 269.975018 139.6
[M-H]- 245.978524 135.8
[M+NH4]+ 265.019623 155.6
[M+K]+ 285.948958 143.4
[M+H-H2O]+ 229.983060 129.7
[M+HCOO]- 291.984001 159.3
[M+CH3COO]- 305.999651 185.9
[M+Na-2H]- 267.960466 134.4
[M]+ 246.98525142 135.7
[M]- 246.98634858 135.7
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