CID 86775890

1-(2-iodo-4-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H10INO
SMILES
COC1=CC(=C(C=C1)CN)I
InChI
InChI=1S/C8H10INO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5,10H2,1H3
InChIKey
XINMCHQVYVLMOE-UHFFFAOYSA-N
Compound name
(2-iodo-4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9807 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.987976 144.4
[M+Na]+ 285.969918 145.7
[M-H]- 261.973424 141.0
[M+NH4]+ 281.014523 160.2
[M+K]+ 301.943858 149.7
[M+H-H2O]+ 245.977960 135.0
[M+HCOO]- 307.978901 164.2
[M+CH3COO]- 321.994551 188.2
[M+Na-2H]- 283.955366 137.8
[M]+ 262.98015142 141.7
[M]- 262.98124858 141.7
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

No patent data available for this compound.