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
3
Annotation Hits

63
References

11682
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 122.6
[M+Na]+ 154.06272 133.6
[M-H]- 130.06622 126.7
[M+NH4]+ 149.10732 146.7
[M+K]+ 170.03666 130.8
[M+H-H2O]+ 114.07076 116.9
[M+HCOO]- 176.07170 148.2
[M+CH3COO]- 190.08735 138.3
[M+Na-2H]- 152.04817 131.9
[M]+ 131.07295 124.5
[M]- 131.07405 124.5
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