CID 86775737

1-(2-iodopyridin-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C6H7IN2
SMILES
C1=CC(=C(N=C1)I)CN
InChI
InChI=1S/C6H7IN2/c7-6-5(4-8)2-1-3-9-6/h1-3H,4,8H2
InChIKey
YRZGJRNDYLADEU-UHFFFAOYSA-N
Compound name
(2-iodopyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

233.9654 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97268 134.1
[M+Na]+ 256.95462 135.4
[M-H]- 232.95812 129.2
[M+NH4]+ 251.99922 149.5
[M+K]+ 272.92856 139.2
[M+H-H2O]+ 216.96266 124.2
[M+HCOO]- 278.96360 153.2
[M+CH3COO]- 292.97925 182.0
[M+Na-2H]- 254.94007 129.6
[M]+ 233.96485 129.6
[M]- 233.96595 129.6
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