CID 11010799

2-iodo-4-methoxy-n-methylaniline

Structural Information

Molecular Formula
C8H10INO
SMILES
CNC1=C(C=C(C=C1)OC)I
InChI
InChI=1S/C8H10INO/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,1-2H3
InChIKey
MMQDZDZZNKUFRB-UHFFFAOYSA-N
Compound name
2-iodo-4-methoxy-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9807 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98798 142.7
[M+Na]+ 285.96992 144.0
[M-H]- 261.97342 139.8
[M+NH4]+ 281.01452 158.8
[M+K]+ 301.94386 148.3
[M+H-H2O]+ 245.97796 133.3
[M+HCOO]- 307.97890 163.1
[M+CH3COO]- 321.99455 188.8
[M+Na-2H]- 283.95537 137.2
[M]+ 262.98015 141.0
[M]- 262.98125 141.0
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

No patent data available for this compound.