CID 170868

Einecs 256-654-4

Structural Information

Molecular Formula
C13H15N
SMILES
CC(=CCN1C=CC2=CC=CC=C21)C
InChI
InChI=1S/C13H15N/c1-11(2)7-9-14-10-8-12-5-3-4-6-13(12)14/h3-8,10H,9H2,1-2H3
InChIKey
ZOXTWOMKOBJEAA-UHFFFAOYSA-N
Compound name
1-(3-methylbut-2-enyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

185.12045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 141.4
[M+Na]+ 208.10967 150.7
[M-H]- 184.11317 144.9
[M+NH4]+ 203.15427 163.2
[M+K]+ 224.08361 146.7
[M+H-H2O]+ 168.11771 135.0
[M+HCOO]- 230.11865 164.7
[M+CH3COO]- 244.13430 183.7
[M+Na-2H]- 206.09512 147.1
[M]+ 185.11990 143.2
[M]- 185.12100 143.2
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

No patent data available for this compound.