CID 86775894

(4-iodo-3-methylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H10IN
SMILES
CC1=C(C=CC(=C1)CN)I
InChI
InChI=1S/C8H10IN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChIKey
VONVWXHJZNTGFZ-UHFFFAOYSA-N
Compound name
(4-iodo-3-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.9858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99308 138.0
[M+Na]+ 269.97502 143.3
[M+NH4]+ 265.01962 143.0
[M+K]+ 285.94896 139.7
[M-H]- 245.97852 135.0
[M+Na-2H]- 267.96047 132.6
[M]+ 246.98525 136.8
[M]- 246.98635 136.8
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