CID 59191861

3-iodo-8-methylquinoline

Structural Information

Molecular Formula
C10H8IN
SMILES
CC1=C2C(=CC=C1)C=C(C=N2)I
InChI
InChI=1S/C10H8IN/c1-7-3-2-4-8-5-9(11)6-12-10(7)8/h2-6H,1H3
InChIKey
HXXVZZCLBYBYLR-UHFFFAOYSA-N
Compound name
3-iodo-8-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

268.97015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97743 134.1
[M+Na]+ 291.95937 137.1
[M-H]- 267.96287 130.6
[M+NH4]+ 287.00397 150.1
[M+K]+ 307.93331 139.7
[M+H-H2O]+ 251.96741 124.2
[M+HCOO]- 313.96835 151.8
[M+CH3COO]- 327.98400 144.2
[M+Na-2H]- 289.94482 131.8
[M]+ 268.96960 132.0
[M]- 268.97070 132.0
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