CID 12839097

1h-indole,2-ethynyl-1-methyl-

Structural Information

Molecular Formula
C11H9N
SMILES
CN1C2=CC=CC=C2C=C1C#C
InChI
InChI=1S/C11H9N/c1-3-10-8-9-6-4-5-7-11(9)12(10)2/h1,4-8H,2H3
InChIKey
KKFMTTIGOXDYOP-UHFFFAOYSA-N
Compound name
2-ethynyl-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

155.0735 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08078 133.8
[M+Na]+ 178.06272 147.3
[M-H]- 154.06622 135.7
[M+NH4]+ 173.10732 154.3
[M+K]+ 194.03666 140.9
[M+H-H2O]+ 138.07076 121.6
[M+HCOO]- 200.07170 152.5
[M+CH3COO]- 214.08735 146.8
[M+Na-2H]- 176.04817 139.7
[M]+ 155.07295 130.2
[M]- 155.07405 130.2
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