CID 11781

1-methylindole

Structural Information

Molecular Formula
C9H9N
SMILES
CN1C=CC2=CC=CC=C21
InChI
InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey
BLRHMMGNCXNXJL-UHFFFAOYSA-N
Compound name
1-methylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

9450
Patents

131.0735 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 123.2
[M+Na]+ 154.06272 138.3
[M+NH4]+ 149.10732 133.8
[M+K]+ 170.03666 132.2
[M-H]- 130.06622 126.3
[M+Na-2H]- 152.04817 131.9
[M]+ 131.07295 126.4
[M]- 131.07405 126.4
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