CID 54593891

1-iodo-3-methylimidazo[1,5-a]pyridine

Structural Information

Molecular Formula
C8H7IN2
SMILES
CC1=NC(=C2N1C=CC=C2)I
InChI
InChI=1S/C8H7IN2/c1-6-10-8(9)7-4-2-3-5-11(6)7/h2-5H,1H3
InChIKey
YPGQAILGQDNTQT-UHFFFAOYSA-N
Compound name
1-iodo-3-methylimidazo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9654 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97268 128.7
[M+Na]+ 280.95462 133.6
[M-H]- 256.95812 124.6
[M+NH4]+ 275.99922 145.8
[M+K]+ 296.92856 136.4
[M+H-H2O]+ 240.96266 118.8
[M+HCOO]- 302.96360 148.0
[M+CH3COO]- 316.97925 139.7
[M+Na-2H]- 278.94007 125.8
[M]+ 257.96485 128.6
[M]- 257.96595 128.6
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

No patent data available for this compound.