CID 362373

Nsc626117

Structural Information

Molecular Formula
C13H15N
SMILES
C=CCCCN1C=CC2=CC=CC=C21
InChI
InChI=1S/C13H15N/c1-2-3-6-10-14-11-9-12-7-4-5-8-13(12)14/h2,4-5,7-9,11H,1,3,6,10H2
InChIKey
MGVJHDIRKQFYRG-UHFFFAOYSA-N
Compound name
1-pent-4-enylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

185.12045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 140.6
[M+Na]+ 208.10967 150.1
[M-H]- 184.11317 144.0
[M+NH4]+ 203.15427 162.4
[M+K]+ 224.08361 145.7
[M+H-H2O]+ 168.11771 134.1
[M+HCOO]- 230.11865 165.0
[M+CH3COO]- 244.13430 183.5
[M+Na-2H]- 206.09512 147.6
[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