CID 57425947

1-(3-iodo-2-methylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H10IN
SMILES
CC1=C(C=CC=C1I)CN
InChI
InChI=1S/C8H10IN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,5,10H2,1H3
InChIKey
RSDFQGWYVYLGNA-UHFFFAOYSA-N
Compound name
(3-iodo-2-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.9858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.993076 139.7
[M+Na]+ 269.975018 141.2
[M-H]- 245.978524 136.4
[M+NH4]+ 265.019623 156.3
[M+K]+ 285.948958 144.7
[M+H-H2O]+ 229.983060 130.7
[M+HCOO]- 291.984001 159.4
[M+CH3COO]- 305.999651 186.3
[M+Na-2H]- 267.960466 133.4
[M]+ 246.98525142 135.8
[M]- 246.98634858 135.8
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