CID 85625

1-(allyl)-1h-indole

Structural Information

Molecular Formula
C11H11N
SMILES
C=CCN1C=CC2=CC=CC=C21
InChI
InChI=1S/C11H11N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h2-7,9H,1,8H2
InChIKey
HVTZRDOAWZPREA-UHFFFAOYSA-N
Compound name
1-prop-2-enylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

157.08914 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.096416 131.1
[M+Na]+ 180.078358 141.5
[M-H]- 156.081864 134.8
[M+NH4]+ 175.122963 154.0
[M+K]+ 196.052298 137.6
[M+H-H2O]+ 140.086400 125.0
[M+HCOO]- 202.087341 156.1
[M+CH3COO]- 216.102991 145.9
[M+Na-2H]- 178.063806 139.2
[M]+ 157.08859142 133.0
[M]- 157.08968858 133.0
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