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

4
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

patents stripe