CID 6736

3-methylindole

Structural Information

Molecular Formula
C9H9N
SMILES
CC1=CNC2=CC=CC=C12
InChI
InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChIKey
ZFRKQXVRDFCRJG-UHFFFAOYSA-N
Compound name
3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

792
References

21547
Patents

131.0735 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 123.7
[M+Na]+ 154.06272 138.2
[M+NH4]+ 149.10732 133.9
[M+K]+ 170.03666 132.4
[M-H]- 130.06622 126.3
[M+Na-2H]- 152.04817 131.8
[M]+ 131.07295 126.6
[M]- 131.07405 126.6
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