CID 12594456

1-(prop-2-yn-1-yl)-1h-indole

Structural Information

Molecular Formula
C11H9N
SMILES
C#CCN1C=CC2=CC=CC=C21
InChI
InChI=1S/C11H9N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h1,3-7,9H,8H2
InChIKey
YOQSGKCJBGEXMU-UHFFFAOYSA-N
Compound name
1-prop-2-ynylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

49
Patents

155.0735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08078 134.2
[M+Na]+ 178.06272 147.0
[M-H]- 154.06622 135.8
[M+NH4]+ 173.10732 154.4
[M+K]+ 194.03666 140.4
[M+H-H2O]+ 138.07076 121.7
[M+HCOO]- 200.07170 152.9
[M+CH3COO]- 214.08735 146.9
[M+Na-2H]- 176.04817 140.7
[M]+ 155.07295 130.3
[M]- 155.07405 130.3
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