CID 24904124

1044764-84-2

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CC(C)N1C=NC2=C1C=CN=C2Cl
InChI
InChI=1S/C9H10ClN3/c1-6(2)13-5-12-8-7(13)3-4-11-9(8)10/h3-6H,1-2H3
InChIKey
ZBAFDAOEAIMTLA-UHFFFAOYSA-N
Compound name
4-chloro-1-propan-2-ylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

195.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.063596 138.8
[M+Na]+ 218.045538 151.0
[M-H]- 194.049044 140.0
[M+NH4]+ 213.090143 158.4
[M+K]+ 234.019478 146.6
[M+H-H2O]+ 178.053580 131.5
[M+HCOO]- 240.054521 155.7
[M+CH3COO]- 254.070171 152.5
[M+Na-2H]- 216.030986 145.3
[M]+ 195.05577142 143.2
[M]- 195.05686858 143.2
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