CID 10328

Indoline

Structural Information

Molecular Formula
C8H9N
SMILES
C1CNC2=CC=CC=C21
InChI
InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
InChIKey
LPAGFVYQRIESJQ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

623
References

134978
Patents

119.0735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 121.9
[M+Na]+ 142.06272 129.8
[M-H]- 118.06622 123.6
[M+NH4]+ 137.10732 145.1
[M+K]+ 158.03666 126.8
[M+H-H2O]+ 102.07076 116.2
[M+HCOO]- 164.07170 143.4
[M+CH3COO]- 178.08735 135.8
[M+Na-2H]- 140.04817 129.9
[M]+ 119.07295 118.2
[M]- 119.07405 118.2
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