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]+ 269.977426 134.1
[M+Na]+ 291.959368 137.1
[M-H]- 267.962874 130.6
[M+NH4]+ 287.003973 150.1
[M+K]+ 307.933308 139.7
[M+H-H2O]+ 251.967410 124.2
[M+HCOO]- 313.968351 151.8
[M+CH3COO]- 327.984001 144.2
[M+Na-2H]- 289.944816 131.8
[M]+ 268.96960142 132.0
[M]- 268.97069858 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