CID 17750186

766557-62-4

Structural Information

Molecular Formula
C9H10INO
SMILES
C1CC1COC2=C(C=CC=N2)I
InChI
InChI=1S/C9H10INO/c10-8-2-1-5-11-9(8)12-6-7-3-4-7/h1-2,5,7H,3-4,6H2
InChIKey
ILSBVXOYWKUWLJ-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethoxy)-3-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

274.9807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98798 143.5
[M+Na]+ 297.96992 146.5
[M-H]- 273.97342 142.8
[M+NH4]+ 293.01452 153.5
[M+K]+ 313.94386 149.3
[M+H-H2O]+ 257.97796 132.7
[M+HCOO]- 319.97890 162.3
[M+CH3COO]- 333.99455 190.2
[M+Na-2H]- 295.95537 139.2
[M]+ 274.98015 144.0
[M]- 274.98125 144.0
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