CID 12839093

3-iodo-1-methyl-1h-indole

Structural Information

Molecular Formula
C9H8IN
SMILES
CN1C=C(C2=CC=CC=C21)I
InChI
InChI=1S/C9H8IN/c1-11-6-8(10)7-4-2-3-5-9(7)11/h2-6H,1H3
InChIKey
XGOPNOIIRMKMJR-UHFFFAOYSA-N
Compound name
3-iodo-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

256.97015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97743 130.4
[M+Na]+ 279.95937 134.8
[M-H]- 255.96287 127.5
[M+NH4]+ 275.00397 148.8
[M+K]+ 295.93331 137.5
[M+H-H2O]+ 239.96741 121.2
[M+HCOO]- 301.96835 150.5
[M+CH3COO]- 315.98400 141.6
[M+Na-2H]- 277.94482 126.9
[M]+ 256.96960 130.1
[M]- 256.97070 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe