CID 46736790

1092381-05-9

Structural Information

Molecular Formula
C10H12ClN3
SMILES
CCCN1C2=C(C=NC=C2)N=C1CCl
InChI
InChI=1S/C10H12ClN3/c1-2-5-14-9-3-4-12-7-8(9)13-10(14)6-11/h3-4,7H,2,5-6H2,1H3
InChIKey
XMIZMUOSSZBBPE-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-propylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07926 143.5
[M+Na]+ 232.06120 155.6
[M-H]- 208.06470 144.3
[M+NH4]+ 227.10580 162.6
[M+K]+ 248.03514 150.4
[M+H-H2O]+ 192.06924 135.8
[M+HCOO]- 254.07018 161.0
[M+CH3COO]- 268.08583 156.9
[M+Na-2H]- 230.04665 150.5
[M]+ 209.07143 148.8
[M]- 209.07253 148.8
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

No patent data available for this compound.