CID 14849554

7-methoxyindoline

Structural Information

Molecular Formula
C9H11NO
SMILES
COC1=CC=CC2=C1NCC2
InChI
InChI=1S/C9H11NO/c1-11-8-4-2-3-7-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
InChIKey
QLVATPFLTCNUBR-UHFFFAOYSA-N
Compound name
7-methoxy-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

149.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.0
[M+Na]+ 172.07328 142.2
[M+NH4]+ 167.11788 139.5
[M+K]+ 188.04722 137.3
[M-H]- 148.07678 131.7
[M+Na-2H]- 170.05873 135.8
[M]+ 149.08351 132.1
[M]- 149.08461 132.1
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