CID 155933868

3-(but-3-yn-1-yl)-1h-indole

Structural Information

Molecular Formula
C12H11N
SMILES
C#CCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H11N/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12/h1,4-5,7-9,13H,3,6H2
InChIKey
SNMNIUIONXOEDH-UHFFFAOYSA-N
Compound name
3-but-3-ynyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08914 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.096416 139.8
[M+Na]+ 192.078358 151.8
[M-H]- 168.081864 140.0
[M+NH4]+ 187.122963 158.8
[M+K]+ 208.052298 144.2
[M+H-H2O]+ 152.086400 127.4
[M+HCOO]- 214.087341 156.8
[M+CH3COO]- 228.102991 151.4
[M+Na-2H]- 190.063806 145.3
[M]+ 169.08859142 134.5
[M]- 169.08968858 134.5
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

No patent data available for this compound.