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

28
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 139.1
[M+Na]+ 269.97502 139.6
[M-H]- 245.97852 135.8
[M+NH4]+ 265.01962 155.6
[M+K]+ 285.94896 143.4
[M+H-H2O]+ 229.98306 129.7
[M+HCOO]- 291.98400 159.3
[M+CH3COO]- 305.99965 185.9
[M+Na-2H]- 267.96047 134.4
[M]+ 246.98525 135.7
[M]- 246.98635 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