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]+ 262.00874 142.9
[M+Na]+ 283.99068 143.9
[M-H]- 259.99418 139.9
[M+NH4]+ 279.03528 159.2
[M+K]+ 299.96462 147.5
[M+H-H2O]+ 243.99872 133.6
[M+HCOO]- 305.99966 162.9
[M+CH3COO]- 320.01531 189.8
[M+Na-2H]- 281.97613 137.1
[M]+ 261.00091 140.3
[M]- 261.00201 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.