CID 11978

5-methylindole

Structural Information

Molecular Formula
C9H9N
SMILES
CC1=CC2=C(C=C1)NC=C2
InChI
InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
InChIKey
YPKBCLZFIYBSHK-UHFFFAOYSA-N
Compound name
5-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

4744
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 133.8
[M-H]- 130.06622 125.9
[M+NH4]+ 149.10732 146.6
[M+K]+ 170.03666 130.0
[M+H-H2O]+ 114.07076 117.8
[M+HCOO]- 176.07170 147.3
[M+CH3COO]- 190.08735 138.2
[M+Na-2H]- 152.04817 132.1
[M]+ 131.07295 123.3
[M]- 131.07405 123.3
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