CID 97429

4,5,6,7-tetrahydroindole

Structural Information

Molecular Formula
C8H11N
SMILES
C1CCC2=C(C1)C=CN2
InChI
InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
InChIKey
KQBVVLOYXDVATK-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2195
Patents

121.08915 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 123.9
[M+Na]+ 144.07837 130.7
[M-H]- 120.08187 125.2
[M+NH4]+ 139.12297 146.9
[M+K]+ 160.05231 127.9
[M+H-H2O]+ 104.08641 118.2
[M+HCOO]- 166.08735 143.9
[M+CH3COO]- 180.10300 137.2
[M+Na-2H]- 142.06382 130.8
[M]+ 121.08860 118.8
[M]- 121.08970 118.8
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