CID 15288422

[(2-iodo-3-methylphenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C9H12IN
SMILES
CC1=C(C(=CC=C1)CNC)I
InChI
InChI=1S/C9H12IN/c1-7-4-3-5-8(6-11-2)9(7)10/h3-5,11H,6H2,1-2H3
InChIKey
ONZBFGZQRNGPNE-UHFFFAOYSA-N
Compound name
1-(2-iodo-3-methylphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00146 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.008736 142.9
[M+Na]+ 283.990678 143.9
[M-H]- 259.994184 139.9
[M+NH4]+ 279.035283 159.2
[M+K]+ 299.964618 147.5
[M+H-H2O]+ 243.998720 133.6
[M+HCOO]- 305.999661 162.9
[M+CH3COO]- 320.015311 189.8
[M+Na-2H]- 281.976126 137.1
[M]+ 261.00091142 140.3
[M]- 261.00200858 140.3
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.